SCHEMBL27249385

SCHEMBL27249385

COC1CC(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.44
LIPG Q9Y5X9 12/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
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
F11 P03951 1/20 0.37
HIF1A Q16665 1/20 0.36
BACE1 P56817 1/20 0.35
ESR2 Q92731 1/20 0.35
SNCA P37840 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL23627820 0.82 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL2017546 0.81 LPL (0.46) LPLLIPGCA1CA2CA9
SCHEMBL2016128 0.81 LPL (0.46) LPLLIPGCA1CA2CA9
SCHEMBL2016127 0.81 LPL (0.46) LPLLIPGCA1CA2CA9
SCHEMBL31353177 0.80 CA1 (0.47) LPLLIPGCA1CA2CA9
SCHEMBL14804365 0.80 LPL (0.52) LPLLIPGCA1CA2CA9
SCHEMBL16112310 0.80 LPL (0.52) LPLLIPGCA1CA2CA9
SCHEMBL24658424 0.79 HIF1A (0.42) LPLLIPGCA1CA2CA9
SCHEMBL26100867 0.77 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL3136657 0.77 HIF1A (0.49) 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
WO-2024036170-A1 ANTIBACTERIAL COMPOUNDS BLACKSMITH MEDICINES, INC. (US) 2024-02-15 WO disclosed