SCHEMBL20530981

SCHEMBL20530981

O=c1oc2ccccc2c(O)c1C1CC(c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21.c1ccc2c(c1)CCCC2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 2/20 0.59
MAOB P27338 8/20 0.40
MAOA P21397 5/20 0.40
AR P10275 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
NQO1 P15559 2/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
KDM1A O60341 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL53492 0.97 VKORC1 (0.62) VKORC1MAOBMAOAARKDM4E
SCHEMBL29387562 0.97 VKORC1 (0.62) VKORC1MAOBMAOAARKDM4E
SCHEMBL20530982 0.97 VKORC1 (0.62) VKORC1MAOBMAOAARKDM4E
SCHEMBL10605196 0.97 VKORC1 (0.62) VKORC1MAOBMAOAARKDM4E
SCHEMBL10680674 0.97 VKORC1 (0.62) VKORC1MAOBMAOAARKDM4E
SCHEMBL10605191 0.97 VKORC1 (0.62) VKORC1MAOBMAOAARKDM4E
SCHEMBL20530990 0.97 VKORC1 (0.62) VKORC1MAOBMAOAARKDM4E
SCHEMBL10680682 0.97 VKORC1 (0.62) VKORC1MAOBMAOAARKDM4E
SCHEMBL10691142 0.95 VKORC1 (0.65) VKORC1MAOBMAOAARKDM4E
SCHEMBL10644938 0.91 VKORC1 (0.53) VKORC1MAOBMAOAARKDM4E

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
EP-3386961-A1 STEREOISOMER OF FLOCOUMAFEN, COMPOSITION AND RODENTICIDE BAIT COMPRISING SAME, AND METHOD FOR CONTROLLING TARGET RODENT PESTS Liphatech (FR) 2018-10-17 EP disclosed
EP-3386962-A1 STEREOISOMER OF FLOCOUMAFEN, COMPOSITION AND RODENTICIDE BAIT COMPRISING SAME, AND METHOD FOR CONTROLLING TARGET RODENT PESTS Liphatech (FR) 2018-10-17 EP disclosed
EP-3386960-A1 STEREOISOMER OF FLOCOUMAFEN, COMPOSITION AND RODENTICIDE BAIT COMPRISING SAME, AND METHOD FOR CONTROLLING TARGET RODENT PESTS Liphatech (FR) 2018-10-17 EP disclosed
EP-3386959-A1 STEREOISOMER OF FLOCOUMAFEN, COMPOSITION AND RODENTICIDE BAIT COMPRISING SAME, AND METHOD FOR CONTROLLING TARGET RODENT PESTS Liphatech (FR) 2018-10-17 EP disclosed