SCHEMBL7900922

SCHEMBL7900922

Cc1ccc(C(CCC(=O)O)C(=O)c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
NR4A2 P43354 1/20 0.53
SMPD1 P17405 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
SRD5A2 P31213 1/20 0.48
FFAR1 O14842 2/20 0.47
PTPN1 P18031 1/20 0.47
HPD P32754 1/20 0.47
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL7900924 1.00 MAOB (0.55) MAOBNR4A2SMPD1NR1H4SRD5A2
SCHEMBL7900684 0.92 NR4A2 (0.59) MAOBNR4A2SMPD1NR1H4SRD5A2
SCHEMBL7900685 0.92 NR4A2 (0.59) MAOBNR4A2SMPD1NR1H4SRD5A2
SCHEMBL8551278 0.91 MAOB (0.52) MAOBNR4A2SMPD1NR1H4SRD5A2
SCHEMBL7901061 0.90 MAOB (0.53) MAOBNR4A2SMPD1SRD5A2FFAR1
SCHEMBL7901064 0.90 MAOB (0.53) MAOBNR4A2SMPD1SRD5A2FFAR1
SCHEMBL7901169 0.89 NR4A2 (0.58) MAOBNR4A2SMPD1SRD5A2FFAR1
SCHEMBL7907422 0.89 NR4A2 (0.58) MAOBNR4A2SMPD1SRD5A2FFAR1
SCHEMBL7900873 0.86 MAOB (0.51) MAOBNR4A2SMPD1NR1H4SRD5A2
SCHEMBL7900877 0.86 MAOB (0.51) MAOBNR4A2SMPD1NR1H4SRD5A2

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