SCHEMBL7910797

SCHEMBL7910797

Cc1ccccc1C(CCP(=O)(O)O)C(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
NR4A2 P43354 2/20 0.50
SMPD1 P17405 2/20 0.49
GPR132 Q9UNW8 1/20 0.46
SRD5A2 P31213 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTPN1 P18031 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
GUSB P08236 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
SCHEMBL8550777 0.89 MAOB (0.47) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8547589 0.88 MAOB (0.47) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7900921 0.86 MAOB (0.54) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7901041 0.86 MAOB (0.54) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7900916 0.86 MAOB (0.54) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL8550778 0.85 MAOB (0.48) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7908740 0.84 MAOB (0.51) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7908745 0.84 MAOB (0.51) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8545812 0.84 MAOB (0.51) MAOBNR4A2SMPD1GPR132SRD5A2
Water SCHEMBL7914345 0.83 MAOB (0.50) MAOBNR4A2SMPD1GPR132SRD5A2

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