SCHEMBL863257

SCHEMBL863257

O=C([O-])CC(C(=O)OC1CCCCC1)S(=O)(=O)O.[Na+]

nearest known ligand 0.42

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 13)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 2/20 0.31
CA2 known ✓ P00918 2/20 0.31
CA12 known ✓ O43570 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.42
CYP2C19 P33261 1/20 0.37
EPHX1 P07099 2/20 0.36
CYP19A1 P11511 2/20 0.35
NAAA Q02083 2/20 0.33
HTT P42858 1/20 0.33
STS P08842 4/20 0.32
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
CA9 Q16790 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
SCHEMBL66513 0.84 CYP2C19 (0.46) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL2012228 0.84 L3MBTL1 (0.54) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL28108308 0.83 CYP2C19 (0.33) CYP2C19EPHX1
SCHEMBL472797 0.83 CYP2C19 (0.45) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
Ammonia Solution, Strong SCHEMBL22551099 0.83 CYP2C19 (0.45) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL31016394 0.83 CYP2C19 (0.45) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL6939900 0.83 CYP2C19 (0.45) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL10172886 0.82 CYP2C19 (0.44) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL19578719 0.79 L3MBTL1 (0.40) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL28189674 0.79 MMP1 (0.33) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041845-A1 WET ETCHING COMPOSITION AND METHOD Entegris, Inc. (US) 2022-08-17 EP disclosed
EP-3921400-A1 CERIA REMOVAL COMPOSITIONS Entegris, Inc. (US) 2021-12-15 EP disclosed
WO-2021072091-A1 WET ETCHING COMPOSITION AND METHOD ENTEGRIS, INC. (US) 2021-04-15 WO disclosed
WO-2020163506-A1 CERIA REMOVAL COMPOSITIONS ENTEGRIS, INC. (US) 2020-08-13 WO disclosed
CN-109980102-A Luminescent material and preparation method thereof and QLED device TCL集团股份有限公司 2019-07-05 CN disclosed
WO-2012050872-A1 PRESSURE SENSITIVE ADHESIVE SOLUBLE IN ACETONE INDUSTRIAS NEGROMEX, S.A. DE C.V. (MX) 2012-04-19 WO disclosed
US-20120077916-A1 Pressure Sensitive Adhesive Soluble in Acetone INDUSTRIAS NEGROMEX, S.A. DE C.V (MX) 2012-03-29 US disclosed
US-6339043-B1 PROVIDING A FORMULATION COMPRISING AT LEAST ONE INSOLUBLE MATERIAL AND AT LEAST ONE DISPERSANT COMPRISING A WATER SOLUBLE AGRICULTURALLY ACCEPTABLE DERIVATIVE OF COPOLYMER; DISPERSING IN AQUEOUS MEDIUM HUNTSMAN SURFACTANTS TECHNOLOGY CORPORATION 2002-01-15 US disclosed