SCHEMBL7900970

SCHEMBL7900970

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

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.58
MAOA P21397 2/20 0.49
FFAR1 O14842 1/20 0.47
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL7900972 1.00 MAOB (0.58) MAOBMAOAFFAR1MEN1MAPT
SCHEMBL7900968 1.00 MAOB (0.58) MAOBMAOAFFAR1MEN1MAPT
SCHEMBL8546377 0.92 MAOB (0.57) MAOBMAOAFFAR1MEN1MAPT
SCHEMBL7900921 0.89 MAOB (0.54) MAOBFFAR1
SCHEMBL7900916 0.89 MAOB (0.54) MAOBFFAR1
SCHEMBL7901041 0.89 MAOB (0.54) MAOBFFAR1
SCHEMBL7901022 0.88 MRGPRX4 (0.52) MAOBFFAR1
SCHEMBL7901026 0.88 MRGPRX4 (0.52) MAOBFFAR1
SCHEMBL8546381 0.88 MAOB (0.58) MAOBMAOAFFAR1MEN1MAPT
SCHEMBL7901028 0.85 MAOB (0.46) MAOBFFAR1

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