SCHEMBL16795166

SCHEMBL16795166

CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.42
LPL P06858 9/20 0.41
LIPG Q9Y5X9 9/20 0.41
HIF1A Q16665 3/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
F11 P03951 1/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL17419224 0.85 ROCK1 (0.50) ROCK1LPLLIPGCA1CA2
SCHEMBL31642715 0.85 ROCK1 (0.50) ROCK1LPLLIPGCA1CA2
SCHEMBL17432942 0.83 LPL (0.41) ROCK1LPLLIPGHIF1ACA1
SCHEMBL16795239 0.83 LIPG (0.45) ROCK1LPLLIPGHIF1ACA1
Hydrochloric Acid SCHEMBL25250042 0.82 LPL (0.41) ROCK1LPLLIPGHIF1ACA1
SCHEMBL16795218 0.80 PABPC1 (0.51) ROCK1LPLLIPGHIF1A
SCHEMBL17339020 0.78 HIF1A (0.40) ROCK1LPLLIPGHIF1ACA1
SCHEMBL22408252 0.77 LPL (0.40) ROCK1LPLLIPGHIF1ACA1
SCHEMBL27176829 0.77 HIF1A (0.48) ROCK1LPLLIPGHIF1ACA1
SCHEMBL29897686 0.77 ROCK1 (0.48) ROCK1LPLLIPGHIF1ACA1

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
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed