SCHEMBL7907663

SCHEMBL7907663

O=C(O)CNC(=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SGMS2 Q8NHU3 3/20 0.57
ALDH1A1 P00352 1/20 0.55
MAOB P27338 2/20 0.53
SPHK2 Q9NRA0 1/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MET P08581 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
SMPD1 P17405 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
SCHEMBL7909041 0.88 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8145357 0.85 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7900742 0.83 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4756552 0.81 MAOB (0.63) SMN1; SMN2MEN1KMT2AALDH1A1MAOB
SCHEMBL16016781 0.81 MAOB (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15486308 0.81 EGLN1 (0.59) SPHK2ITGB3ITGA2B
SCHEMBL1222408 0.80 ITGB3 (0.73) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL27537159 0.79 MDH2 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5968109 0.79 SGMS2 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9402670 0.79 PTPN11 (0.50) SGMS2ALDH1A1LMNA

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