SCHEMBL5248085

SCHEMBL5248085

O=C([O-])C1CCCCC1C(=O)[O-].[Na+].[Na+]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 6/20 0.38
CA1 known ✓ P00915 6/20 0.38
CA2 known ✓ P00918 6/20 0.38
CA4 known ✓ P22748 1/20 0.33
EPHX1 P07099 4/20 0.39
CA9 Q16790 6/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
FAHD1 Q6P587 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL38660376 1.00 EPHX1 (0.39) EPHX1CA12CA1CA2CA9
SCHEMBL5244938 1.00 EPHX1 (0.39) EPHX1CA12CA1CA2CA9
Potassium Ion SCHEMBL29116637 0.97 CA4 (0.39) EPHX1CA12CA1CA2CA9
Potassium Ion SCHEMBL6894484 0.94 EPHX1 (0.39) EPHX1CA12CA1CA2CA9
Zinc Ion SCHEMBL2411292 0.94 EPHX1 (0.39) EPHX1CA12CA1CA2CA9
SCHEMBL504432 0.94 EPHX1 (0.39) EPHX1CA12CA1CA2CA9
Lithium Ion SCHEMBL1588970 0.94 EPHX1 (0.39) EPHX1CA12CA1CA2CA9
SCHEMBL21808834 0.94 EPHX1 (0.39) EPHX1CA12CA1CA2CA9
SCHEMBL21808833 0.94 EPHX1 (0.39) EPHX1CA12CA1CA2CA9
SCHEMBL1893677 0.94 EPHX1 (0.39) EPHX1CA12CA1CA2CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118978794-A Preparation method of chain-extended nucleation modified poly (butylene succinate) 华东理工大学 2024-11-19 CN claimed
CN-115785523-B Composition and application of alpha/beta composite nucleating agent for regulating and controlling mechanical properties of polypropylene 华东理工大学 2023-10-10 CN claimed
CN-115785523-A Composition and application of alpha/beta composite nucleating agent for regulating and controlling mechanical property of polypropylene 华东理工大学 2023-03-14 CN claimed
CN-113896946-A Special composite additive for polypropylene geogrid and special material for polypropylene geogrid comprising same 呈和科技股份有限公司 2022-01-07 CN claimed
EP-2951239-B1 INJECTION MOULDED POLYPROPYLENE ARTICLES INEOS EUROPE AG (CH) 2019-03-13 EP claimed
US-9969859-B2 HDPE-based buffer tubes with improved excess fiber length in fiber optic cables DOW GLOBAL TECHNOLOGY LLC (US) 2018-05-15 US claimed
EP-2935454-B1 HDPE-BASED BUFFER TUBES WITH IMPROVED EXCESS FIBER LENGTH IN FIBER OPTIC CABLES DOW GLOBAL TECHNOLOGIES LLC (US) 2018-02-21 EP claimed
US-9738761-B2 Injection moulded polypropylene articles INEOS EUROPE AG (CH) 2017-08-22 US claimed
EP-2951239-A1 INJECTION MOULDED POLYPROPYLENE ARTICLES Ineos Europe AG (CH) 2015-12-09 EP claimed
US-20150322215-A1 INJECTION MOULDED POLYPROPYLENE ARTICLES BARCLAYS BANK PLC (GB) 2015-11-12 US claimed
US-20150315355-A1 HDPE-Based Buffer Tubes with Improved Excess Fiber Length in Fiber Optic Cables DOW GLOBAL TECHNOLOGIES LLC 2015-11-05 US claimed
EP-2935454-A1 HDPE-BASED BUFFER TUBES WITH IMPROVED EXCESS FIBER LENGTH IN FIBER OPTIC CABLES Dow Global Technologies LLC (US) 2015-10-28 EP claimed
WO-2014118149-A1 INJECTION MOULDED POLYPROPYLENE ARTICLES INEOS EUROPE AG (CH) 2014-08-07 WO claimed
WO-2014099350-A1 HDPE-BASED BUFFER TUBES WITH IMPROVED EXCESS FIBER LENGTH IN FIBER OPTIC CABLES DOW GLOBAL TECHNOLOGIES LLC (US) 2014-06-26 WO claimed
US-6562890-B2 In combination with acid scavengers (such as organic calcium salts or dihydrotalcite complexes) that provide highly desirable and effective nucleating properties within polymer articles (such as polyolefins) are provided. MILLIKEN & COMPANY 2003-05-13 US claimed
US-6110251-A WITH POLYMER, NUCLEATING AGENT AND ELECTROSTATIC CHARGING ENHANCER JOHNS MANVILLE INTERNATIONAL, INC. (US) 2000-08-29 US claimed
EP-4594398-A1 FILM COMPRISING ETHYLENE COPOLYMERS OR TERPOLYMERS, METHOD FOR MAKING IT AND ITS USE AS SOLAR CELL ENCAPSULANT Braskem S.A. (BR) 2025-08-06 EP disclosed
CN-118978794-A Preparation method of chain-extended nucleation modified poly (butylene succinate) 华东理工大学 2024-11-19 CN disclosed
US-4197254-A POSTEMERGENCE HERBICIDES MONSANTO COMPANY (US) 1980-04-08 US disclosed
US-3998863-A ANTIOXIDANTS AMERICAN CYANAMID COMPANY (US) 1976-12-21 US disclosed