SCHEMBL27484684

SCHEMBL27484684

Cc1cccc(COc2cccc(CCBr)c2)c1OCC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.40
ABCB1 P08183 5/20 0.39
FFAR1 O14842 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
BCHE P06276 4/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
MAOB P27338 1/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34

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 0.91 BCHE (0.38) SLC22A12ABCB1FFAR1BCHECCNB2
SCHEMBL6089755 0.86 TSHR (0.45) SLC22A12FFAR1CYP4F2CYP4A11CCNB2
SCHEMBL6088875 0.84 MAOB (0.53) ABCB1MRGPRX4MAOBHTR1ADRD2
SCHEMBL6090892 0.82 BCHE (0.40) FFAR1BCHEMAOBPTGER1PTGER4
SCHEMBL6089097 0.82 FFAR1 (0.45) FFAR1MRGPRX4MAOB
SCHEMBL5725097 0.82 CHRNB2 (0.40) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL27499107 0.81 PTGER4 (0.36) PTGER1PTGER4PTGER3PTGER2
SCHEMBL6091382 0.80 CCNB2 (0.40) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6088303 0.79 NOS3 (0.46) ABCB1MAOB
SCHEMBL6088282 0.79 ALOX5 (0.42) MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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