SCHEMBL7914560

SCHEMBL7914560

Cc1ccccc1CC(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.63
NR4A2 P43354 5/20 0.62
PTPN1 P18031 1/20 0.61
SMPD1 P17405 1/20 0.56
SRD5A2 P31213 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
MAOA P21397 1/20 0.52
CYP19A1 P11511 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
FAAH O00519 1/20 0.49
CNR2 P34972 1/20 0.49

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
SCHEMBL7907452 0.86 MAOB (0.46) MAOBNR4A2PTPN1
SCHEMBL7901142 0.85 NR4A2 (0.74) MAOBNR4A2PTPN1SMPD1SRD5A2
SCHEMBL2152475 0.81 MAOB (0.73) MAOBNR4A2PTPN1SMPD1SRD5A2
SCHEMBL955386 0.80 MAOB (0.52) MAOBNR4A2PTPN1
SCHEMBL9526431 0.79 NR4A2 (0.69) MAOBNR4A2PTPN1SMPD1SRD5A2
SCHEMBL1800966 0.79 NR4A2 (0.74) MAOBNR4A2PTPN1SMPD1SRD5A2
SCHEMBL14190810 0.79 MAOB (0.55) MAOBNR4A2PTPN1SMPD1NR4A1
SCHEMBL2503352 0.79 MAOB (0.69) MAOBNR4A2PTPN1SMPD1SRD5A2
SCHEMBL31279691 0.79 MAOB (0.69) MAOBNR4A2PTPN1SMPD1SRD5A2
SCHEMBL6131764 0.78 PTPN1 (0.79) MAOBNR4A2PTPN1SMPD1SRD5A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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