SCHEMBL7907467

SCHEMBL7907467

COc1ccc(COc2cccc(C(=O)C(CCC(=O)O)c3ccccc3C)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.52
FFAR1 O14842 2/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL7907471 1.00 SMPD1 (0.52) SMPD1FFAR1MAOB
SCHEMBL7900916 0.93 MAOB (0.54) SMPD1FFAR1MAOB
SCHEMBL7901041 0.93 MAOB (0.54) SMPD1FFAR1MAOB
SCHEMBL7900921 0.93 MAOB (0.54) SMPD1FFAR1MAOB
SCHEMBL7901022 0.92 MRGPRX4 (0.52) FFAR1MAOB
SCHEMBL7901026 0.92 MRGPRX4 (0.52) FFAR1MAOB
SCHEMBL8547554 0.91 SMPD1 (0.53) SMPD1MAOB
SCHEMBL7909065 0.91 FFAR1 (0.47) FFAR1
SCHEMBL7909072 0.91 FFAR1 (0.47) FFAR1
SCHEMBL7907974 0.90 NR4A2 (0.56) SMPD1MAOB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP claimed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO claimed
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed