SCHEMBL6088674

SCHEMBL6088674

Cc1ccccc1COc1cccc(OCc2cccc(C)c2C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 2/20 0.63
MAOB P27338 1/20 0.55
CCNB2 O95067 1/20 0.54
CDK1 P06493 1/20 0.54
CDK4 P11802 1/20 0.54
CCNB1 P14635 1/20 0.54
CCND1 P24385 1/20 0.54
CCNB3 Q8WWL7 1/20 0.54
PTGER4 P35408 3/20 0.52
NR4A2 P43354 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ACHE P22303 1/20 0.48
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
FFAR1 O14842 1/20 0.47
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46

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
SCHEMBL4450809 0.92 NR4A2 (0.58) SLC26A4MAOBPTGER4NR4A2MEN1
SCHEMBL6088483 0.89 SLC26A4 (0.52) SLC26A4MAOBCCNB2CDK1CDK4
SCHEMBL6091862 0.89 SLC26A4 (0.52) SLC26A4MAOBCCNB2CDK1CDK4
SCHEMBL6089332 0.89 NR4A2 (0.67) SLC26A4MAOBPTGER4NR4A2NPC1
SCHEMBL6090532 0.89 SLC26A4 (0.51) SLC26A4MAOBCCNB2CDK1CDK4
SCHEMBL4451992 0.88 SLC26A4 (0.53) SLC26A4MAOBCCNB2CDK1CDK4
SCHEMBL6090535 0.88 NPC1 (0.55) SLC26A4PTGER4NR4A2NPC1RAB9A
SCHEMBL6087956 0.87 PTGER4 (0.55) SLC26A4MAOBPTGER4NR4A2FFAR1
SCHEMBL6088329 0.86 MAOB (0.52) SLC26A4MAOBCCNB2CDK1CDK4
SCHEMBL6089761 0.86 GPR132 (0.49) SLC26A4MAOBPTGER4NR4A2NPC1

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 3 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