SCHEMBL7369690

SCHEMBL7369690

OC1CCC(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.60
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
LMNA P02545 2/20 0.54
CYP1A2 P05177 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGS2 P35354 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ESR2 Q92731 1/20 0.51
FDFT1 P37268 2/20 0.51
KCNH2 Q12809 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2B Q13224 1/20 0.50

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
SCHEMBL7369689 1.00 MRGPRX4 (0.60) MRGPRX4RAB9ANPC1LMNACYP1A2
SCHEMBL10272647 0.92 MRGPRX4 (0.64) MRGPRX4RAB9ANPC1LMNACYP1A2
SCHEMBL1095457 0.85 APP (0.51) MRGPRX4RAB9ANPC1ESR2KCNH2
SCHEMBL1095456 0.85 APP (0.51) MRGPRX4RAB9ANPC1ESR2KCNH2
SCHEMBL12525375 0.84 MRGPRX4 (0.57) MRGPRX4RAB9ALMNACYP1A2PTGS1
SCHEMBL5691491 0.84 MAOB (0.62) MRGPRX4RAB9ALMNACYP1A2PTGS1
SCHEMBL12523729 0.84 MRGPRX4 (0.57) MRGPRX4RAB9ANPC1LMNACYP1A2
SCHEMBL5249481 0.84 HRH3 (0.60) MRGPRX4RAB9ALMNACYP1A2PTGS1
SCHEMBL9441348 0.84 MRGPRX4 (0.64) MRGPRX4RAB9ANPC1LMNACYP1A2
SCHEMBL8999824 0.84 MRGPRX4 (0.64) MRGPRX4RAB9ANPC1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106892805-B Synthesis method of 4- (4-hydroxyphenyl) cyclohexanone 西安瑞联新材料股份有限公司 2021-02-23 CN claimed
CN-106892805-B Synthesis method of 4- (4-hydroxyphenyl) cyclohexanone 西安瑞联新材料股份有限公司 2021-02-23 CN disclosed
CN-106892805-B Synthesis method of 4- (4-hydroxyphenyl) cyclohexanone 西安瑞联新材料股份有限公司 2021-02-23 CN disclosed
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO disclosed