SCHEMBL31298117

SCHEMBL31298117

COc1ccc(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 9/20 0.53
▸ LPL P06858 8/20 0.53
▸ LTA4H P09960 2/20 0.50
▸ SNCA P37840 1/20 0.42
▸ DGAT1 O75907 1/20 0.39
▸ SLC5A1 P13866 1/20 0.39
▸ SLC5A2 P31639 1/20 0.39
▸ UCHL1 P09936 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ F11 P03951 1/20 0.37
▸ EDNRB P24530 1/20 0.37
▸ EDNRA P25101 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
SCHEMBL28215773 0.85 LIPG (0.61) LIPGLPLDGAT1F11
SCHEMBL1890076 0.81 MAOB (0.52) LIPGLPLDGAT1
SCHEMBL422395 0.79 LPL (0.49) LIPGLPLSNCACA1CA2
SCHEMBL20904633 0.78 LIPG (0.57) LIPGLPLF11
SCHEMBL1744642 0.78 LIPG (0.60) LIPGLPLSNCADGAT1CA1
SCHEMBL5675853 0.77 CYP19A1 (0.67) —
SCHEMBL10970519 0.77 LTA4H (0.76) LTA4HSLC5A1SLC5A2CA1CA2
SCHEMBL28510203 0.76 LPL (0.65) LIPGLPLSNCAUCHL1CA1
SCHEMBL21234488 0.76 LPL (0.54) LIPGLPLDGAT1HIF1A
SCHEMBL16795630 0.76 MAOB (0.55) LIPGLPLDGAT1

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-2024260023-A1 CYCLIC Α-HYDROXYIMIDE COMPOUND AND USE THEREOF 北京英飞智药科技有限公司 2024-12-26 — — WO disclosed
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