SCHEMBL6089251

SCHEMBL6089251

Cc1cccc(COc2cccc(OCCOc3ccccn3)c2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 2/20 0.49
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NR4A2 P43354 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PTGER4 P35408 1/20 0.41
PPARG P37231 1/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.39
ANO1 Q5XXA6 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38

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 0.85 SLC26A4 (0.46) SLC26A4NR4A2NPC1RAB9APTGER4
SCHEMBL6088697 0.85 PTGDR2 (0.46) SLC26A4NR4A2NPC1RAB9APTGER4
SCHEMBL6089761 0.85 GPR132 (0.49) SLC26A4NR4A2NPC1RAB9APTGER4
SCHEMBL6088674 0.83 SLC26A4 (0.63) SLC26A4KMT2AMEN1NR4A2NPC1
SCHEMBL4450809 0.80 NR4A2 (0.58) SLC26A4KMT2AMEN1NR4A2PTGER4
SCHEMBL6088483 0.78 SLC26A4 (0.52) SLC26A4KMT2AMEN1NR4A2NPC1
SCHEMBL6089332 0.78 NR4A2 (0.67) SLC26A4KMT2AMEN1NR4A2NPC1
SCHEMBL6090532 0.78 SLC26A4 (0.51) SLC26A4KMT2AMEN1NR4A2NPC1
SCHEMBL4451992 0.78 SLC26A4 (0.53) SLC26A4KMT2AMEN1NR4A2NPC1
SCHEMBL6090535 0.77 NPC1 (0.55) SLC26A4KMT2AMEN1NR4A2NPC1

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
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed