SCHEMBL7901063

SCHEMBL7901063

COc1cccc([C@H](CCC(=O)O)C(=O)c2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
NR4A2 P43354 1/20 0.52
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SMPD1 P17405 2/20 0.48
SRD5A2 P31213 1/20 0.47
FFAR1 O14842 2/20 0.46
PTPN1 P18031 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
SCHEMBL7901058 1.00 MAOB (0.53) MAOBMRGPRX4NR4A2KMT2ASMN1; SMN2
SCHEMBL8546264 0.92 MAOB (0.51) MAOBMRGPRX4NR4A2KMT2ASMN1; SMN2
SCHEMBL7901061 0.92 MAOB (0.53) MAOBMRGPRX4NR4A2SMN1; SMN2SMPD1
SCHEMBL7901064 0.92 MAOB (0.53) MAOBMRGPRX4NR4A2SMN1; SMN2SMPD1
SCHEMBL7900685 0.91 NR4A2 (0.59) MAOBNR4A2KMT2ASMN1; SMN2SMPD1
SCHEMBL7900684 0.91 NR4A2 (0.59) MAOBNR4A2KMT2ASMN1; SMN2SMPD1
SCHEMBL7907665 0.87 NR4A2 (0.56) MAOBNR4A2KMT2ASMN1; SMN2SMPD1
SCHEMBL7907664 0.87 NR4A2 (0.56) MAOBNR4A2KMT2ASMN1; SMN2SMPD1
SCHEMBL7900922 0.86 MAOB (0.55) MAOBNR4A2KMT2ASMN1; SMN2SMPD1
SCHEMBL7900924 0.86 MAOB (0.55) MAOBNR4A2KMT2ASMN1; SMN2SMPD1

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