SCHEMBL2937130

SCHEMBL2937130

C=CCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.36

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 8)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.31
CA4 known ✓ P22748 1/20 0.31
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 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
SCHEMBL2937133 0.88 CYP3A4 (0.33) CYP3A4CA2TDP1CA4TSHR
SCHEMBL1961118 0.88 CYP3A4 (0.33) CYP3A4CA2TDP1CA4TSHR
Ethylene SCHEMBL25418134 0.87 CYP3A4 (0.32) CYP3A4CA2TDP1CA4TSHR
SCHEMBL1961120 0.87 CASP1 (0.34) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL3140306 0.87 TDP1 (0.37) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL9715188 0.85 MAPT (0.36) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL10607690 0.85 MAPT (0.36) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL6418327 0.85 CYP3A4 (0.33) CYP3A4TDP1TSHRMAPTCACNA1B
Potassium Ion SCHEMBL11909775 0.85 CYP3A4 (0.33) CYP3A4TDP1TSHRMAPTCACNA1B
Ethylene Glycol SCHEMBL20135732 0.84 CYP3A4 (0.30) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116490565-A Polyvinyl alcohol film and polarizing film using the same 株式会社可乐丽 2023-07-25 CN claimed
CN-109266058-B Catalysis method and use method of water-based inorganic nano-coating 湖南凯斯利新材料有限公司 2021-07-16 CN claimed
CN-102836088-B Cleansing cream containing tea saponin and preparation method thereof HANGZHOU SHOSHE BIO TECHNOLOGY CO LTD 2013-09-18 CN claimed
CN-102836088-A Cleansing cream containing tea saponin and preparation method thereof HANGZHOU SHOSHE BIO TECHNOLOGY CO LTD 2012-12-26 CN claimed
US-5985993-A AGGLOMERATION WITH SEEDING BATCH POLYMERS CHEIL INDUSTRIES, INC. (KR) 1999-11-16 US claimed
EP-0138870-B1 MIXTURE OF SUBSTANCES AND SKIN WASHING PRODUCT BASED ON THE COMPONENTS THEREOF SCHELER, Hermann (DE) 1986-11-12 EP claimed
CN-115298296-B Method for improving foaming characteristics of detergent composition by using saccharide isomer 帝斯曼知识产权资产管理有限公司 2024-06-21 CN disclosed
US-11999832-B2 Polyvinyl alcohol-based resin film AICELLO CORPORATION (JP) 2024-06-04 US disclosed
CN-117915884-A Human milk oligosaccharides in cleaning compositions 帝斯曼知识产权资产管理有限公司 2024-04-19 CN disclosed
CN-117858693-A Novel use of at least one human milk oligosaccharide 帝斯曼知识产权资产管理有限公司 2024-04-09 CN disclosed
CN-117835957-A Human milk oligosaccharides in sulfate free cleaning compositions 帝斯曼知识产权资产管理有限公司 2024-04-05 CN disclosed
CN-116490565-A Polyvinyl alcohol film and polarizing film using the same 株式会社可乐丽 2023-07-25 CN disclosed
CN-116490335-A Method for producing polarizing film and polarizing film 株式会社可乐丽 2023-07-25 CN disclosed
EP-0303503-B1 ELECTRON BEAM RECORDING FILM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-07 EP disclosed
WO-1991006681-A1 METHOD FOR ENHANCING THE BIODEGRADATION OF BIODEGRADABLE POLYMERIC MATERIALS AND OF ARTICLES FABRICATED THEREFROM ALLIED-SIGNAL INC. (US) 1991-05-16 WO disclosed
EP-0303503-A2 Electron beam recording film E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-15 EP disclosed
EP-0300376-A1 Element having improved antistatic layer E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-01-25 EP disclosed
EP-0138870-B1 MIXTURE OF SUBSTANCES AND SKIN WASHING PRODUCT BASED ON THE COMPONENTS THEREOF SCHELER, Hermann (DE) 1986-11-12 EP disclosed
EP-0138870-A1 MIXTURE OF SUBSTANCES AND SKIN WASHING PRODUCT BASED ON THE COMPONENTS THEREOF. SCHELER HERMANN (DE) 1985-05-02 EP disclosed
WO-1984003622-A1 MIXTURE OF SUBSTANCES AND SKIN WASHING PRODUCT BASED ON THOSE COMPONENTS SCHELER HERMANN (DE) 1984-09-27 WO disclosed