SCHEMBL6087649

SCHEMBL6087649

Cc1cccc(COc2cccc(OCc3ccc(C(C)(C)C)cc3)c2)c1OCC#N

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.53
NR4A1 P22736 1/20 0.53
NR4A3 Q92570 1/20 0.53
MAOB P27338 9/20 0.40
APP P05067 3/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRB P23467 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
PPARG P37231 1/20 0.37
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL6088303 0.84 NOS3 (0.46) MAOBAPPMAOA
SCHEMBL6088282 0.84 ALOX5 (0.42) MRGPRX4
SCHEMBL6089979 0.82 MRGPRX4 (0.41) NR4A2MAOBMRGPRX4
SCHEMBL5725097 0.82 CHRNB2 (0.40) NR4A2NR4A1NR4A3MAOBAPP
SCHEMBL6088875 0.82 MAOB (0.53) MAOBAPPMRGPRX4
SCHEMBL6090698 0.81 NR4A2 (0.61) NR4A2NR4A1NR4A3MAOBRXRA
SCHEMBL6091382 0.80 CCNB2 (0.40) NR4A2MAOB
SCHEMBL6089097 0.80 FFAR1 (0.45) NR4A2MAOBMRGPRX4
SCHEMBL6089755 0.79 TSHR (0.45) NR4A2MAOBMRGPRX4
SCHEMBL6088358 0.79 BCHE (0.38) NR4A2MAOBMRGPRX4

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