SCHEMBL31207675

SCHEMBL31207675

CC(O)(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 8/20 0.38
▸ LIPG Q9Y5X9 8/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ 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
▸ BTK Q06187 2/20 0.36
▸ HIF1A Q16665 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ AR P10275 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL17903582 1.00 LPL (0.38) LPLLIPGFFAR1F11F2
SCHEMBL17903479 0.90 LPL (0.38) LPLLIPGFFAR1F11F2
SCHEMBL20110053 0.84 LPL (0.40) LPLLIPGFFAR1F11F2
SCHEMBL25985334 0.81 LPL (0.40) LPLLIPGF11F2PRSS1
SCHEMBL17903587 0.80 LPL (0.44) LPLLIPGFFAR1F11F2
SCHEMBL20110065 0.80 FFAR1 (0.39) LPLLIPGFFAR1F11F2
SCHEMBL17893865 0.80 LIPG (0.42) LPLLIPGF11F2PRSS1
SCHEMBL17894260 0.80 LIPG (0.42) LPLLIPGF11F2PRSS1
SCHEMBL17894262 0.80 LIPG (0.42) LPLLIPGF11F2PRSS1
SCHEMBL406138 0.79 AR (0.40) LPLLIPGFFAR1F11F2

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
EP-3240543-B1 BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-11-06 — — EP disclosed
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