SCHEMBL7908641

SCHEMBL7908641

COC(=O)c1ccc(OCc2ccc3ccccc3c2)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.53
MAOB P27338 2/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
PPARG P37231 1/20 0.49
CAPN1 P07384 1/20 0.49
ALOX5AP P20292 1/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL3962253 0.91 MAOB (0.61) MAOBNPC1FFAR4
SCHEMBL7907439 0.89 MAOB (0.56) MRGPRX4MAOBNPC1FFAR4
SCHEMBL7901056 0.87 MRGPRX4 (0.61) ALOX5MRGPRX4MAOBNPC1MAPT
SCHEMBL7910727 0.87 RXRA (0.54) ALOX5MRGPRX4MAOBNPC1FFAR4
SCHEMBL7911112 0.86 MAOB (0.57) MAOBNPC1FFAR4MAOA
SCHEMBL7910948 0.86 MAOB (0.57) MAOBNPC1FFAR4MAOA
SCHEMBL7910894 0.86 FFAR4 (0.65) MRGPRX4MAOBMAPTFFAR4MAOA
SCHEMBL7908741 0.86 MAOB (0.56) ALOX5MRGPRX4MAOBNPC1MAPT
SCHEMBL21924287 0.86 MAOB (0.58) MAOBNPC1MAPTFFAR4
SCHEMBL7787014 0.86 CAPN1 (0.57) NPC1MAPTFFAR4CAPN1

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