SCHEMBL6089761

SCHEMBL6089761

Cc1cccc(COc2cccc(OCc3ccccn3)c2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 1/20 0.49
SLC26A4 O43511 1/20 0.49
NPC1 O15118 2/20 0.47
NR4A2 P43354 2/20 0.47
RAB9A P51151 2/20 0.47
PARP10 Q53GL7 1/20 0.46
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
MAOB P27338 1/20 0.44
ABCB1 P08183 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
DHODH Q02127 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SYK P43405 1/20 0.43
MAPK14 Q16539 1/20 0.43
SMO Q99835 1/20 0.43
PTGER4 P35408 1/20 0.43
PPARG P37231 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6090266 0.91 SLC26A4 (0.46) GPR132SLC26A4NPC1NR4A2RAB9A
SCHEMBL6091097 0.89 GPR132 (0.47) GPR132SLC26A4NPC1NR4A2RAB9A
SCHEMBL6088689 0.88 NPC1 (0.46) GPR132NPC1RAB9APARP10TLR4
SCHEMBL6088674 0.86 SLC26A4 (0.63) SLC26A4NPC1NR4A2RAB9AMAOB
SCHEMBL6089251 0.85 SLC26A4 (0.49) SLC26A4NPC1NR4A2RAB9AMAOB
SCHEMBL6089164 0.84 PTGER4 (0.47) SLC26A4NPC1NR4A2RAB9APTGER4
SCHEMBL6088808 0.84 SLC26A4 (0.46) SLC26A4NPC1NR4A2RAB9APTGER4
SCHEMBL6089340 0.84 PTGDR2 (0.48) GPR132NPC1NR4A2RAB9APARP10
SCHEMBL6091032 0.83 NR4A2 (0.48) SLC26A4NPC1NR4A2RAB9APPARG
SCHEMBL4450809 0.83 NR4A2 (0.58) SLC26A4NR4A2MAOBKDM4EPTGER4

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