SCHEMBL812737

SCHEMBL812737

COc1ccc(C(O)(C=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KIF11 P52732 8/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.47
CA4 P22748 1/20 0.46
KCNH2 Q12809 1/20 0.46
TRPA1 O75762 1/20 0.46
MEN1 O00255 1/20 0.46
LTA4H P09960 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL6632456 0.88 SMN1; SMN2 (0.44) KIF11LMNAHTTSMN1; SMN2KMT2A
SCHEMBL863162 0.84 KDM4E (0.44) KMT2AKDM4EALDH1A1MAPT
SCHEMBL28803424 0.84 KIF11 (0.46) CES2CES1KIF11LMNAHTT
SCHEMBL5444949 0.84 LMNA (0.54) LMNAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL5317307 0.82 CYP19A1 (0.50) KMT2ANPC1RAB9AKDM4E
SCHEMBL8800598 0.81 CYP1A2 (0.54) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL4696006 0.80 MAOB (0.43) LMNASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL7763666 0.80 CA4 (0.54) CES2CES1KIF11LMNAHTT
SCHEMBL28797 0.80 CA4 (0.54) CES2CES1KIF11LMNAHTT
SCHEMBL11567727 0.80 CA4 (0.54) CES2CES1KIF11LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114097780-A Method for preparing bactericide for inhibiting botrytis cinerea and application 吉林大学 2022-03-01 CN disclosed
WO-2016195115-A1 SUPPORTED CATALYST FOR ALDEHYDE COUPLING REACTION, METHOD FOR PERFORMING ALDEHYDE COUPLING REACTION, AND METHOD FOR REGENERATING SUPPORTED CATALYST FOR ALDEHYDE COUPLING REACTION SEKISUI CHEMICAL CO., LTD. (JP) 2016-12-08 WO disclosed
EP-2344437-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
WO-2010041767-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 WO disclosed
EP-2167482-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Schering Pharma AG (DE) 2010-03-31 EP disclosed
WO-2008155017-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1966218-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
EP-1966217-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
WO-2007079861-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed