SCHEMBL7900785

SCHEMBL7900785

COC(=O)c1ccc(OCc2ccc(F)cc2)cc1O

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.75
MAOA P21397 5/20 0.75
FFAR4 Q5NUL3 1/20 0.57
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK4 Q16654 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
POLB P06746 1/20 0.52
NR4A2 P43354 1/20 0.51

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
SCHEMBL27571102 0.90 MAOB (0.64) MAOBMAOAFFAR4NR4A2
SCHEMBL4212043 0.89 MAOB (0.58) MAOBMAOANPC1MAPTRAB9A
SCHEMBL15615390 0.89 MAOB (0.58) MAOBMAOANPC1MAPTRAB9A
SCHEMBL7911129 0.86 MAOB (0.75) MAOBMAOANPC1MAPTRAB9A
SCHEMBL6763954 0.86 MAOB (1.00) MAOBMAOAMAPTNR4A2
SCHEMBL629952 0.86 MAOB (0.74) MAOBMAOANPC1RAB9ACA12
SCHEMBL1959564 0.85 FFAR4 (0.66) MAOBMAOAFFAR4NPC1MAPT
SCHEMBL7910894 0.84 FFAR4 (0.65) MAOBMAOAFFAR4MAPTKMT2A
SCHEMBL3296065 0.84 MAOB (0.76) MAOBMAOANR4A2
SCHEMBL1300926 0.84 MAOB (0.56) MAOBMAOAFFAR4NR4A2

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