SCHEMBL28052008

SCHEMBL28052008

CC(Br)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.46
LIPG Q9Y5X9 13/20 0.46
ROCK1 Q13464 1/20 0.40
EGFR P00533 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ESR2 Q92731 1/20 0.35
F11 P03951 1/20 0.34

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
SCHEMBL21364646 0.84 LPL (0.46) LPLLIPGROCK1EGFRCA1
SCHEMBL31294725 0.84 LPL (0.46) LPLLIPGROCK1EGFRCA1
SCHEMBL29556779 0.84 LPL (0.49) LPLLIPGROCK1EGFRCA1
SCHEMBL252903 0.84 LPL (0.49) LPLLIPGROCK1EGFRCA1
SCHEMBL15096652 0.82 LPL (0.42) LPLLIPGROCK1EGFRCA1
SCHEMBL15096648 0.82 LPL (0.44) LPLLIPGROCK1EGFRCA1
SCHEMBL15096650 0.82 LPL (0.44) LPLLIPGROCK1EGFRCA1
SCHEMBL15096655 0.80 LPL (0.42) LPLLIPGROCK1EGFRCA1
SCHEMBL15096649 0.80 LIPG (0.44) LPLLIPGROCK1EGFRCA1
SCHEMBL16918902 0.80 ROCK1 (0.45) LPLLIPGROCK1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102917590-B Tricyclic compound and the PBK inhibitor containing described compound ONCOTHERAPY SCIENCE, INC. (JP) 2016-02-17 CN disclosed