SCHEMBL6091097

SCHEMBL6091097

Cc1cccc(COc2cccc(COCc3ccccn3)c2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 1/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC26A4 O43511 1/20 0.44
ABCB1 P08183 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
MAOB P27338 1/20 0.42
PTGER4 P35408 1/20 0.41
NR4A2 P43354 3/20 0.41
CD274 Q9NZQ7 2/20 0.40
FFAR1 O14842 1/20 0.40
MRGPRX4 Q96LA9 4/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR5A P47898 1/20 0.39

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
SCHEMBL6087884 0.90 ABCB1 (0.45) GPR132MEN1ALDH1A1KMT2AABCB1
SCHEMBL6089761 0.89 GPR132 (0.49) GPR132SLC26A4ABCB1HTR1ADRD2
SCHEMBL6089840 0.84 CYSLTR1 (0.59)
SCHEMBL6090266 0.83 SLC26A4 (0.46) GPR132ALDH1A1SLC26A4PTGER4NR4A2
SCHEMBL4450809 0.80 NR4A2 (0.58) MEN1ALDH1A1KMT2ASLC26A4MAOB
SCHEMBL6091367 0.80 FFAR1 (0.53) SLC26A4PTGER4NR4A2FFAR1MRGPRX4
SCHEMBL6088989 0.80 CYSLTR1 (0.61)
SCHEMBL6088689 0.78 NPC1 (0.46) GPR132ALDH1A1ABCB1HTR1ADRD2
SCHEMBL6088674 0.78 SLC26A4 (0.63) MEN1KMT2ASLC26A4MAOBPTGER4
SCHEMBL6089251 0.77 SLC26A4 (0.49) MEN1KMT2ASLC26A4MAOBPTGER4

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