SCHEMBL6089979

SCHEMBL6089979

Cc1cccc(COc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1OCC#N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.41
FFAR1 O14842 1/20 0.40
MAOB P27338 3/20 0.39
PDGFRA P16234 1/20 0.39
S1PR1 P21453 1/20 0.39
ROCK1 Q13464 1/20 0.39
S1PR5 Q9H228 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
NR4A2 P43354 1/20 0.39
ALOX5 P09917 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 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
SCHEMBL6088282 0.86 ALOX5 (0.42) MRGPRX4RAB9AALOX5
SCHEMBL6088875 0.84 MAOB (0.53) MRGPRX4MAOBRAB9ANPC1
SCHEMBL6089097 0.82 FFAR1 (0.45) MRGPRX4FFAR1MAOBNR4A2
SCHEMBL6087649 0.82 NR4A2 (0.53) MRGPRX4MAOBNR4A2
SCHEMBL6088303 0.82 NOS3 (0.46) MAOB
SCHEMBL6092051 0.81 FFAR1 (0.51) MRGPRX4FFAR1MAOBPDGFRAS1PR1
SCHEMBL6091382 0.80 CCNB2 (0.40) MAOBRAB9ANPC1NR4A2KDM4E
SCHEMBL5725097 0.80 CHRNB2 (0.40) MRGPRX4MAOBRAB9ANPC1NR4A2
SCHEMBL6087715 0.79 CYSLTR1 (0.40) RAB9ANPC1NR4A2
SCHEMBL6088358 0.79 BCHE (0.38) MRGPRX4FFAR1MAOBNR4A2

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