SCHEMBL31531362

SCHEMBL31531362

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 13/20 0.46
▸ LIPG Q9Y5X9 13/20 0.46
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ F11 P03951 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ CSF1R P07333 1/20 0.36
▸ ESR2 Q92731 1/20 0.36

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
SCHEMBL32663644 0.85 LPL (0.46) LPLLIPGCA1CA2CA9
SCHEMBL24524492 0.84 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL60127 0.83 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL14217299 0.82 LPL (0.50) LPLLIPGCA1CA2CA9
SCHEMBL29016496 0.80 LPL (0.51) LPLLIPGCA1CA2CA9
SCHEMBL30622816 0.79 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL4425474 0.79 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL19414434 0.79 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL15262667 0.79 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL14616470 0.78 LPL (0.53) LPLLIPGCA1CA2CA9

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
CN-119638639-A Biaryl compound with anti-cell necrotic apoptosis activity, derivative and application thereof 中国药科大学 2025-03-18 — — CN disclosed
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