SCHEMBL6090892

SCHEMBL6090892

Cc1cccc(COc2cccc(OCCCc3ccccc3)c2)c1OCC#N

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.40
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
PTGER1 P34995 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
FFAR1 O14842 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LPAR1 Q92633 1/20 0.38
NR4A2 P43354 1/20 0.37
NAAA Q02083 1/20 0.37

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
SCHEMBL6091382 0.90 CCNB2 (0.40) MAOBNR4A2
SCHEMBL6098220 0.89 BCHE (0.42) BCHEMAOBMAOAFFAR1MTNR1A
SCHEMBL6089097 0.84 FFAR1 (0.45) MAOBFFAR1NR4A2
SCHEMBL6090183 0.82 PTGER1 (0.50) PTGER4PTGER3PTGER2PTGER1FFAR1
SCHEMBL6088282 0.82 ALOX5 (0.42)
SCHEMBL6088875 0.82 MAOB (0.53) MAOB
SCHEMBL27484684 0.82 SLC22A12 (0.40) BCHEPTGER4PTGER3PTGER2PTGER1
SCHEMBL5725263 0.82 SCN8A (0.38) FFAR1
SCHEMBL6088358 0.81 BCHE (0.38) BCHEMAOBFFAR1NR4A2
SCHEMBL6089755 0.81 TSHR (0.45) MAOBFFAR1NR4A2

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