SCHEMBL7901142

SCHEMBL7901142

O=C(Cc1ccccc1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 0.74
PTPN1 P18031 1/20 0.72
MAOB P27338 1/20 0.70
SMPD1 P17405 2/20 0.67
SRD5A2 P31213 1/20 0.65
CYP19A1 P11511 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NR1H4 Q96RI1 1/20 0.58
MRGPRX4 Q96LA9 1/20 0.57
GPR132 Q9UNW8 1/20 0.56
ALDH1A1 P00352 1/20 0.56
FAAH O00519 1/20 0.56
CNR2 P34972 1/20 0.56

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
SCHEMBL9526431 0.91 NR4A2 (0.69) NR4A2PTPN1MAOBSMPD1SRD5A2
SCHEMBL1800966 0.88 NR4A2 (0.74) NR4A2PTPN1MAOBSMPD1SRD5A2
SCHEMBL7337987 0.86 NR4A2 (0.72) NR4A2PTPN1MAOBSMPD1SRD5A2
SCHEMBL1438839 0.86 NR4A2 (0.72) NR4A2PTPN1MAOBSMPD1SRD5A2
SCHEMBL6131764 0.86 PTPN1 (0.79) NR4A2PTPN1MAOBSMPD1SRD5A2
SCHEMBL2152475 0.86 MAOB (0.73) NR4A2PTPN1MAOBSMPD1SRD5A2
SCHEMBL8800682 0.86 NR4A2 (0.55) NR4A2PTPN1MAOBSMPD1SRD5A2
SCHEMBL11639201 0.85 ERCC5 (0.62) NR4A2PTPN1MAOBSMPD1SRD5A2
SCHEMBL7908051 0.85 SRD5A2 (0.85) NR4A2PTPN1MAOBSMPD1SRD5A2
SCHEMBL339009 0.85 NR4A2 (1.00) NR4A2PTPN1MAOBSMPD1SRD5A2

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 6 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
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed