SCHEMBL7901064

SCHEMBL7901064

COc1ccc([C@H](CCC(=O)O)C(=O)c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
SMPD1 P17405 2/20 0.53
NR4A2 P43354 1/20 0.52
MRGPRX4 Q96LA9 2/20 0.51
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
FFAR1 O14842 5/20 0.49
SRD5A2 P31213 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47

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
SCHEMBL7901061 1.00 MAOB (0.53) MAOBSMPD1NR4A2MRGPRX4TP53
SCHEMBL7901058 0.92 MAOB (0.53) MAOBSMPD1NR4A2MRGPRX4SMN1; SMN2
SCHEMBL7901063 0.92 MAOB (0.53) MAOBSMPD1NR4A2MRGPRX4SMN1; SMN2
SCHEMBL7900684 0.91 NR4A2 (0.59) MAOBSMPD1NR4A2SMN1; SMN2FFAR1
SCHEMBL7900685 0.91 NR4A2 (0.59) MAOBSMPD1NR4A2SMN1; SMN2FFAR1
SCHEMBL7900924 0.90 MAOB (0.55) MAOBSMPD1NR4A2SMN1; SMN2FFAR1
SCHEMBL7900922 0.90 MAOB (0.55) MAOBSMPD1NR4A2SMN1; SMN2FFAR1
SCHEMBL7907422 0.88 NR4A2 (0.58) MAOBSMPD1NR4A2MRGPRX4SMN1; SMN2
SCHEMBL7901169 0.88 NR4A2 (0.58) MAOBSMPD1NR4A2MRGPRX4SMN1; SMN2
SCHEMBL7907471 0.86 SMPD1 (0.52) MAOBSMPD1FFAR1

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