SCHEMBL939702

SCHEMBL939702

CCOP(=O)([O-])OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCOP(=O)([O-])OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Ca+2]

nearest known ligand 0.57

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 20)

geneUniProtsupporting neighboursconfidence
HMGCR known ✓ P04035 4/20 0.57
GABBR2 known ✓ O75899 1/20 0.40
GABBR1 known ✓ Q9UBS5 1/20 0.40
NR1I2 O75469 1/20 0.53
KMT2A Q03164 5/20 0.43
GAA P10253 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
BLM P54132 2/20 0.41
ATM Q13315 2/20 0.41
HIF1A Q16665 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 3/20 0.41

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
SCHEMBL4347219 0.97 HMGCR (0.57) HMGCRNR1I2KMT2AGAAMEN1
Zinc Ion SCHEMBL4352085 0.97 HMGCR (0.57) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL29167752 0.97 HMGCR (0.57) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL4338116 0.97 HMGCR (0.57) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL4335127 0.97 HMGCR (0.57) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL4340300 0.97 HMGCR (0.57) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL939705 0.97 HMGCR (0.57) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL27292871 0.85 HMGCR (0.51) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL2802375 0.84 HMGCR (0.51) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL4344756 0.84 HMGCR (0.48) HMGCRNR1I2KMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346944-A Polyolefin resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-09-13 US claimed
EP-4303267-A1 THERMOPLASTIC POLYESTER ELASTOMER COMPOSITION, PREPARATION METHOD THEREFOR AND MOLDED ARTICLE COMPRISING SAME LG CHEM, LTD. (KR) 2024-01-10 EP disclosed
US-8030417-B2 Process for producing polyester-polycarbonate type thermoplastic polyester elastomer and polyester-polycarbonate type thermoplastic polyester elastomer TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-10-04 US disclosed
US-7994076-B2 Fabric for airbag TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-08-09 US disclosed
US-7985702-B2 Woven fabric for airbag TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed
US-7973124-B2 Method for producing thermoplastic polyester elastomer, thermoplastic polyester elastomer composition, and thermoplastic polyester elastomer TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-07-05 US disclosed
US-20110097956-A1 Fabric for Airbag TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-04-28 US disclosed
US-20110097955-A1 WOVEN FABRIC FOR AIRBAG TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-04-28 US disclosed
US-20110014833-A1 COPOLYMERIZED POLYETHER POLYAMIDE RESIN TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-01-20 US disclosed
US-20100249285-A1 ELASTIC POLYURETHANE YARN AND PROCESS FOR PRODUCTION THEREOF INVISTA NORTH AMERICA S.A.R.I. (US) 2010-09-30 US disclosed
EP-1664431-B1 ANTIOXIDANT FOR AN ORGANIC MATERIAL AND METHOD FOR TREATING THE SAME ZFB ZENTRUM FUER BUCHERHALTUNG (DE) 2010-08-04 EP disclosed
EP-2163665-A1 ELASTIC POLYURETHANE YARN AND PROCESS FOR PRODUCTION THEREOF Opelontex Co., Ltd. (JP) 2010-03-17 EP disclosed
EP-1664431-A2 ANTIOXIDANT FOR AN ORGANIC MATERIAL AND METHOD FOR TREATING THE SAME ZFB Zentrum für Bucherhaltung GmbH (DE) 2006-06-07 EP disclosed
WO-2005030906-A2 ANTIOXIDANT FOR AN ORGANIC MATERIAL AND METHOD FOR TREATING THE SAME ZFB Zentrum für Bucherhaltung GmbH (DE) 2005-04-07 WO disclosed