SCHEMBL12155348

SCHEMBL12155348

O=c1oc2ccccc2c(OCc2cccc(C(F)(F)F)c2)c1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
VKORC1 Q9BQB6 2/20 0.51
SLC26A3 P40879 5/20 0.48
MAOA P21397 1/20 0.47
BRAF P15056 1/20 0.45
IDO1 P14902 2/20 0.45
ESR1 P03372 1/20 0.44
AR P10275 1/20 0.44
HSD17B3 P37058 1/20 0.44
NQO1 P15559 1/20 0.43
ANO1 Q5XXA6 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
NR4A2 P43354 1/20 0.42

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
SCHEMBL12172454 0.95 MAOB (0.49) MAOBVKORC1SLC26A3MAOABRAF
SCHEMBL12172706 0.86 MAOB (0.54) MAOBVKORC1SLC26A3MAOAIDO1
SCHEMBL12155353 0.86 MAOB (0.64) MAOBVKORC1SLC26A3MAOAAR
SCHEMBL12155359 0.85 VKORC1 (0.67) MAOBVKORC1MAOAESR1AR
SCHEMBL12155344 0.81 NQO1 (0.61) MAOBVKORC1ESR1ARHSD17B3
SCHEMBL12155693 0.79 MAOB (0.55) MAOBSLC26A3MAOAANO1NR4A2
SCHEMBL12155361 0.74 VKORC1 (0.51) MAOBVKORC1HSD17B3NQO1
SCHEMBL333773 0.73 MAOB (0.47) MAOBVKORC1MAOAESR1AR
SCHEMBL12172710 0.72 VKORC1 (0.50) MAOBVKORC1MAOAESR1AR
SCHEMBL25253884 0.71 AR (0.48) MAOBVKORC1MAOAESR1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048889-B2 3,4-disubstituted coumarin and quinolone compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2011-11-01 US disclosed
US-8048889-B2 3,4-disubstituted coumarin and quinolone compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2011-11-01 US disclosed
WO-2007133211-A1 3,4-DISUBSTITUTED COUMARIN AND QUINOLONE COMPOUNDS XTL BIOPHARMACEUTICALS, LTD. (IL) 2007-11-22 WO disclosed