SCHEMBL19743463

SCHEMBL19743463

CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.43
LIPG Q9Y5X9 6/20 0.40
ROCK1 Q13464 1/20 0.39
LPL P06858 5/20 0.39
P4HB P07237 1/20 0.38
F11 P03951 3/20 0.37
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 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
SCHEMBL18319652 0.88 LIPG (0.39) HIF1ALIPGROCK1LPLP4HB
SCHEMBL27159868 0.84 KDM4E (0.47) HIF1ALIPGROCK1LPLF11
SCHEMBL17418789 0.84 ROCK1 (0.53) HIF1ALIPGROCK1LPLP4HB
SCHEMBL1684669 0.81 LIPG (0.53) LIPGLPLP4HBF11F2
SCHEMBL21682668 0.81 HIF1A (0.50) HIF1ALIPGROCK1LPLF11
SCHEMBL4604189 0.78 LIPG (0.52) LIPGLPLP4HBCA9CA12
SCHEMBL12502664 0.78 HIF1A (0.48) HIF1ALIPGROCK1LPLP4HB
SCHEMBL4815568 0.78 LPL (0.44) HIF1ALIPGROCK1LPLF11
SCHEMBL23123642 0.77 LIPG (0.41) HIF1ALIPGROCK1LPLP4HB
SCHEMBL29817025 0.77 LIPG (0.41) HIF1ALIPGROCK1LPLP4HB

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-2017220431-A1 FUSED PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2017-12-28 WO disclosed