SCHEMBL31500569

SCHEMBL31500569

[2H]c1sc2ccc(B3OC(C)(C)C(C)(C)O3)cc2c1[2H]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.40
LIPG Q9Y5X9 13/20 0.40
SNCA P37840 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
F11 P03951 1/20 0.33
ESR2 Q92731 1/20 0.31

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
SCHEMBL31500638 0.91 LPL (0.43) LPLLIPGSNCACA1CA2
SCHEMBL30620315 0.81 LPL (0.47) LPLLIPGSNCACA1CA2
SCHEMBL451893 0.81 LPL (0.47) LPLLIPGSNCACA1CA2
SCHEMBL29644319 0.74 LPL (0.62) LPLLIPGSNCACA1CA2
SCHEMBL1293460 0.74 LPL (0.62) LPLLIPGSNCACA1CA2
SCHEMBL29387132 0.73 LPL (0.61) LPLLIPGSNCACA1CA2
SCHEMBL1294059 0.73 LPL (0.61) LPLLIPGSNCACA1CA2
SCHEMBL20984006 0.72 LIPG (0.60) LPLLIPGSNCACA2CA12
SCHEMBL2708689 0.71 LPL (0.59) LPLLIPGSNCACA1CA2
SCHEMBL4299809 0.71 LPL (0.59) LPLLIPGSNCACA1CA2

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-2025087274-A1 AZABICYCLO DERIVATIVE AND PREPARATION METHOD THEREFOR, AND USE 浙江海正药业股份有限公司 2025-05-01 WO disclosed