SCHEMBL7901028

SCHEMBL7901028

Cc1ccccc1[C@H](CCC(=O)O)C(=O)c1cccc(OCc2cccc(N)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
NR4A2 P43354 2/20 0.45
FFAR1 O14842 1/20 0.43

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
SCHEMBL7901023 1.00 MAOB (0.46) MAOBNR4A2FFAR1
SCHEMBL7900921 0.92 MAOB (0.54) MAOBNR4A2FFAR1
SCHEMBL7901041 0.92 MAOB (0.54) MAOBNR4A2FFAR1
SCHEMBL7900916 0.92 MAOB (0.54) MAOBNR4A2FFAR1
SCHEMBL8546391 0.91 MAOB (0.42) MAOBNR4A2
SCHEMBL7901022 0.89 MRGPRX4 (0.52) MAOBNR4A2FFAR1
SCHEMBL7901026 0.89 MRGPRX4 (0.52) MAOBNR4A2FFAR1
SCHEMBL7900914 0.89 NR4A2 (0.56) MAOBNR4A2FFAR1
SCHEMBL7900918 0.89 NR4A2 (0.56) MAOBNR4A2FFAR1
SCHEMBL8546398 0.86 FFAR1 (0.46) MAOBNR4A2FFAR1

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