SCHEMBL27964014

SCHEMBL27964014

CCOc1ccc(CC(Br)C(=O)C(Br)Cc2ccc(OCC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.50
NQO1 P15559 1/20 0.48
PPARA Q07869 1/20 0.48
PARP10 Q53GL7 1/20 0.47

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
SCHEMBL8777334 0.87 ACACB (0.48) ACACBNQO1PPARA
SCHEMBL7752956 0.81 ACACB (0.55) ACACBPPARA
SCHEMBL11242410 0.79 LDHA (0.68) ACACBNQO1PPARA
SCHEMBL8953759 0.76 PPARA (0.55) ACACBNQO1PPARA
SCHEMBL14355744 0.76 ACACB (0.54) ACACBNQO1PPARAPARP10
SCHEMBL27964016 0.76 FFAR1 (0.57) ACACBPPARA
SCHEMBL7512564 0.76 PPARA (0.55) ACACBNQO1PPARA
SCHEMBL6865304 0.76 ACACB (0.54) ACACBNQO1PPARAPARP10
SCHEMBL27964023 0.76 ACACB (0.48) ACACBPPARA
SCHEMBL2036599 0.75 ITGB3 (0.64) ACACBPPARAPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083821-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-09-17 CN disclosed
CN-103936819-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-07-23 CN disclosed