SCHEMBL14933849

SCHEMBL14933849

CC(C)(P)C(C)(C)OBc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.42
LIPG Q9Y5X9 12/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ESR2 Q92731 1/20 0.37
SNCA P37840 1/20 0.36
F11 P03951 2/20 0.36
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL14854199 0.85 CA1 (0.43) LPLLIPGCA1CA2CA9
SCHEMBL13331255 0.82 PRMT5 (0.36) LPLLIPGCA1CA2CA9
SCHEMBL21125908 0.76 LIPG (0.41) LPLLIPGCA1CA2CA9
SCHEMBL19933570 0.74 DGAT1 (0.42) LPLLIPGCA1CA2CA9
SCHEMBL23625698 0.74 LIPG (0.43) LPLLIPGCA1CA2CA9
SCHEMBL17725269 0.73 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL14959227 0.73 TSHR (0.33)
SCHEMBL12103836 0.72 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL228212 0.72 LPL (0.71) LPLLIPGCA1CA2CA9
SCHEMBL15748365 0.72 ESR1 (0.35) CA1CA2CA9CA12CA3

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-2013066317-A1 CATIONIC POLYMERS INCLUDING PHOSPHONIUM SALT GROUPS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2013-05-10 WO disclosed