SCHEMBL7901026

SCHEMBL7901026

COc1cccc(COc2cccc(C(=O)[C@@H](CCC(=O)O)c3ccccc3C)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.52
MAOB P27338 2/20 0.46
FFAR1 O14842 4/20 0.46
NR4A2 P43354 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
SCHEMBL7901022 1.00 MRGPRX4 (0.52) MRGPRX4MAOBFFAR1NR4A2
SCHEMBL7901041 0.93 MAOB (0.54) MAOBFFAR1NR4A2
SCHEMBL7900921 0.93 MAOB (0.54) MAOBFFAR1NR4A2
SCHEMBL7900916 0.93 MAOB (0.54) MAOBFFAR1NR4A2
SCHEMBL7907467 0.92 SMPD1 (0.52) MAOBFFAR1
SCHEMBL7907471 0.92 SMPD1 (0.52) MAOBFFAR1
SCHEMBL8549978 0.91 MRGPRX4 (0.48) MRGPRX4MAOBNR4A2
SCHEMBL7908883 0.91 NPC1 (0.45)
SCHEMBL7908877 0.91 NPC1 (0.45)
SCHEMBL7901028 0.89 MAOB (0.46) 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 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