SCHEMBL5667256

SCHEMBL5667256

O=C([O-])C1(C(=O)[O-])CCCCC1.[Na+].[Na+]

nearest known ligand 0.41

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 12)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 1/20 0.32
CA1 known ✓ P00915 1/20 0.30
CYP2C19 P33261 1/20 0.32
FAHD1 Q6P587 1/20 0.32
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28968497 0.97 CA4 (0.33) CA4FAHD1CA1
SCHEMBL28968537 0.94 CYP2C19 (0.32) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL6662738 0.94 TSHR (0.35) CYP2C19USP2ALDH1A1LMNACYP1A2
Lithium Ion SCHEMBL28968511 0.94 CYP2C19 (0.32) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL2429027 0.94 CYP2C19 (0.32) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL8612559 0.94 CYP2C19 (0.32) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL28968493 0.94 CYP2C19 (0.32) CYP2C19USP2ALDH1A1LMNACYP1A2
Silver SCHEMBL21295179 0.94 CYP2C19 (0.32) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL21295181 0.94 CYP2C19 (0.32) CYP2C19USP2ALDH1A1LMNACYP1A2
Zinc Ion SCHEMBL28968544 0.94 CYP2C19 (0.32) CYP2C19USP2ALDH1A1LMNACYP1A2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1994020450-A1 PROCESS FOR THE RECOVERY OF CYCLOHEXANEDICARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 1994-09-15 WO claimed
US-5278339-A Ion exchanging EASTMAN KODAK COMPANY (US) 1994-01-11 US claimed
CN-119500227-A Preparation method and application of Ni-based catalyst for synthesizing CHDA (CHDA) 浙江清和新材料科技有限公司 2025-02-25 CN disclosed
CN-115052930-B Resin composition, laminate, method for producing same, electrode, secondary battery, and electric double layer capacitor 东丽株式会社 2024-06-18 CN disclosed
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 disclosed
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 disclosed
CN-115698164-A Additive composition, resin composition containing same, method for producing same, and molded article 株式会社ADEKA 2023-02-03 CN disclosed
CN-115052930-A Resin composition, laminate, method for producing same, electrode, secondary battery, and electric double layer capacitor 东丽株式会社 2022-09-13 CN disclosed
US-20060276582-A1 Member for electronic device FUJI PHOTO FILM CO., LTD. 2006-12-07 US disclosed
US-20060270779-A1 Transparent member for electronic device FUJI PHOTO FILM CO., LTD. 2006-11-30 US disclosed
WO-1994020450-A1 PROCESS FOR THE RECOVERY OF CYCLOHEXANEDICARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 1994-09-15 WO disclosed
US-5278339-A Ion exchanging EASTMAN KODAK COMPANY (US) 1994-01-11 US disclosed