SCHEMBL6089755

SCHEMBL6089755

Cc1cccc(COc2cccc(CO)c2)c1OCC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDR P35968 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
FFAR1 O14842 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CD274 Q9NZQ7 3/20 0.38
SLC22A12 Q96S37 2/20 0.37
NR4A2 P43354 2/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6088358 0.88 BCHE (0.38) MRGPRX4FFAR1CD274SLC22A12NR4A2
SCHEMBL5725097 0.86 CHRNB2 (0.40) MRGPRX4NR4A2CCNB2CDK1CDK4
SCHEMBL27484684 0.86 SLC22A12 (0.40) MRGPRX4FFAR1CYP4F2CYP4A11SLC22A12
SCHEMBL6088875 0.86 MAOB (0.53) MRGPRX4NPC1RAB9AMAOB
SCHEMBL6089097 0.84 FFAR1 (0.45) SMN1; SMN2MRGPRX4FFAR1NR4A2MAOB
SCHEMBL6091382 0.81 CCNB2 (0.40) SMN1; SMN2NR4A2CCNB2CDK1CDK4
SCHEMBL6090892 0.81 BCHE (0.40) FFAR1NR4A2MAOB
SCHEMBL6088282 0.81 ALOX5 (0.42) MRGPRX4RAB9A
SCHEMBL6088303 0.81 NOS3 (0.46) SMN1; SMN2CD274MAOB
SCHEMBL6092118 0.81 HTR1A (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
CN-1183113-C Tri-aryl acid derivatives as PPAR receptor ligands ���ĵ�˹ҩ��¹����޹�˾ 2005-01-05 CN disclosed
CN-1356983-A Tri-aryl acid derivatives as PPAR receptor ligands AVENTIS PHARM PROD INC (DE) 2002-07-03 CN disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed