SCHEMBL7900987

SCHEMBL7900987

CCc1ccccc1[C@H](CCC(=O)O)C(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
NR4A2 P43354 2/20 0.52
SMPD1 P17405 1/20 0.48
SRD5A2 P31213 1/20 0.47
FFAR1 O14842 1/20 0.46
PTPN1 P18031 1/20 0.46
GPR132 Q9UNW8 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
NR1H4 Q96RI1 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
SCHEMBL7900981 1.00 MAOB (0.53) MAOBNR4A2SMPD1SRD5A2FFAR1
SCHEMBL8548524 0.91 MAOB (0.50) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7901041 0.88 MAOB (0.54) MAOBNR4A2SMPD1SRD5A2FFAR1
SCHEMBL7900921 0.88 MAOB (0.54) MAOBNR4A2SMPD1SRD5A2FFAR1
SCHEMBL7900916 0.88 MAOB (0.54) MAOBNR4A2SMPD1SRD5A2FFAR1
SCHEMBL7901108 0.87 MAOB (0.53) MAOBNR4A2SMPD1SRD5A2FFAR1
SCHEMBL7901112 0.87 MAOB (0.53) MAOBNR4A2SMPD1SRD5A2FFAR1
SCHEMBL7901060 0.86 NR4A2 (0.53) MAOBNR4A2SMPD1SRD5A2FFAR1
SCHEMBL7901053 0.86 NR4A2 (0.53) MAOBNR4A2SMPD1SRD5A2FFAR1
SCHEMBL8548526 0.85 MAOB (0.53) MAOBNR4A2SMPD1SRD5A2PTPN1

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