SCHEMBL18962174

SCHEMBL18962174

Bc1ccc(-c2ccc(C(O)CC(c3ccccc3)c3c(O)c4ccccc4oc3=O)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.80
▸ CYP2C9 P11712 7/20 0.64
▸ VKORC1 Q9BQB6 3/20 0.64
▸ NQO1 P15559 4/20 0.60
▸ HSD17B10 Q99714 2/20 0.55
▸ ALB P02768 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ PCSK7 Q16549 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CYP3A4 P08684 1/20 0.54
▸ TOP1 P11387 1/20 0.53

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
SCHEMBL18802989 0.89 THRB (0.80) THRBCYP2C9VKORC1NQO1HSD17B10
Bromodiolone SCHEMBL433993 0.89 THRB (1.00) THRBCYP2C9VKORC1NQO1HSD17B10
Bromodiolone SCHEMBL29362860 0.89 THRB (1.00) THRBCYP2C9VKORC1NQO1HSD17B10
Warfarin Alcohol SCHEMBL23752252 0.78 CYP2C9 (1.00) THRBCYP2C9VKORC1NQO1HSD17B10
Warfarin Alcohol SCHEMBL23752230 0.78 CYP2C9 (1.00) THRBCYP2C9VKORC1NQO1HSD17B10
Warfarin Alcohol SCHEMBL7354259 0.78 CYP2C9 (1.00) THRBCYP2C9VKORC1NQO1HSD17B10
SCHEMBL7351597 0.77 CYP2C9 (0.82) THRBCYP2C9VKORC1NQO1HSD17B10
SCHEMBL8335244 0.76 THRB (0.78) THRBCYP2C9VKORC1NQO1HSD17B10
SCHEMBL7356446 0.76 CYP2C9 (0.72) CYP2C9VKORC1NQO1HSD17B10ALB
SCHEMBL8334663 0.75 THRB (0.72) THRBCYP2C9VKORC1NQO1HSD17B10

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
WO-2017097756-A1 STEREOISOMER OF BROMADIOLONE, COMPOSITION AND RODENTICIDE BAIT COMPRISING SAME, AND METHOD FOR CONTROLLING TARGET RODENT PESTS LIPHATECH (FR) 2017-06-15 — — WO disclosed
WO-2017097754-A1 STEREOISOMER OF BROMADIOLONE, COMPOSITION AND RODENTICIDE BAIT COMPRISING SAME, AND METHOD FOR CONTROLLING TARGET RODENT PESTS LIPHATECH (FR) 2017-06-15 — — WO disclosed
WO-2017097755-A1 STEREOISOMER OF BROMADIOLONE, COMPOSITION AND RODENTICIDE BAIT COMPRISING SAME, AND METHOD FOR CONTROLLING TARGET RODENT PESTS LIPHATECH (FR) 2017-06-15 — — WO disclosed
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