SCHEMBL23984232

SCHEMBL23984232

CC1(C)OB(c2ccc(CN)c(CO)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.43
LIPG Q9Y5X9 14/20 0.41
LPL P06858 13/20 0.41
ROCK1 Q13464 1/20 0.40
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
Hydrochloric Acid SCHEMBL25230232 0.98 F11 (0.42) F11LIPGLPLROCK1CA1
SCHEMBL18197394 0.84 ROCK1 (0.43) F11LIPGLPLROCK1CA1
SCHEMBL1284600 0.84 F11 (0.45) F11LIPGLPLROCK1CA1
SCHEMBL26988116 0.83 F11 (0.44) F11LIPGLPLROCK1CA1
SCHEMBL29901092 0.81 LIPG (0.44) F11LIPGLPLROCK1CA1
SCHEMBL23336941 0.81 LPL (0.44) F11LIPGLPLROCK1CA1
SCHEMBL4815568 0.81 LPL (0.44) F11LIPGLPLROCK1CA1
SCHEMBL16831631 0.81 LIPG (0.44) F11LIPGLPLROCK1CA1
SCHEMBL29418793 0.81 LPL (0.44) F11LIPGLPLROCK1CA1
SCHEMBL3226225 0.81 LIPG (0.44) F11LIPGLPLROCK1CA1

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-2021219070-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-11-04 WO disclosed