SCHEMBL6090535

SCHEMBL6090535

Cc1cccc(COc2cccc(OCc3cccc4ccccc34)c2)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SLC26A4 O43511 2/20 0.54
PARP10 Q53GL7 2/20 0.53
PARP15 Q460N3 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
FFAR1 O14842 1/20 0.52
AKR1B1 P15121 1/20 0.52
PTGER4 P35408 1/20 0.47
NR4A2 P43354 1/20 0.46
P2RX3 P56373 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
FDPS P14324 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45

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
SCHEMBL6088483 0.88 SLC26A4 (0.52) NPC1RAB9ASLC26A4MEN1KMT2A
SCHEMBL6088674 0.88 SLC26A4 (0.63) NPC1RAB9ASLC26A4MEN1KMT2A
SCHEMBL6088897 0.86 GABRA1 (0.52) NPC1RAB9ASLC26A4PARP10PARP15
SCHEMBL4450809 0.85 NR4A2 (0.58) SLC26A4MEN1KMT2APTGER4NR4A2
SCHEMBL6087927 0.85 MRGPRX4 (0.53) NPC1RAB9ASLC26A4NR4A2
SCHEMBL6089332 0.83 NR4A2 (0.67) NPC1RAB9ASLC26A4MEN1KMT2A
SCHEMBL6090532 0.83 SLC26A4 (0.51) NPC1RAB9ASLC26A4MEN1KMT2A
SCHEMBL4451992 0.82 SLC26A4 (0.53) NPC1RAB9ASLC26A4MEN1KMT2A
SCHEMBL7222374 0.81 NR4A2 (0.68) NPC1RAB9APARP10PARP15FFAR1
SCHEMBL5725146 0.81 CYSLTR1 (0.67)

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