SCHEMBL9562009

SCHEMBL9562009

OB(O)c1ccc(B(O)O)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35
CA2 P00918 1/20 0.35
ENPP2 Q13822 2/20 0.35
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
MAPT P10636 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL29465762 0.89 CES2 (0.41) LPLLIPGENPP2
SCHEMBL59883 0.89 CES2 (0.41) LPLLIPGENPP2
Methyl Alcohol SCHEMBL29194951 0.87 CES2 (0.39) LPLLIPG
SCHEMBL29219393 0.87 CES2 (0.39) LPLLIPG
SCHEMBL18133450 0.87 AR (0.33)
SCHEMBL29952156 0.87 AR (0.33)
SCHEMBL10091339 0.87 HPGD (0.40) LPLLIPGCA2
SCHEMBL29952655 0.87 HPGD (0.40) LPLLIPGCA2
SCHEMBL257742 0.84 KDM1A (0.35) CA2
SCHEMBL17107484 0.84 USP2 (0.39) ENPP2

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
US-5262556-A Alkylation or hydroxyalkylation by deprotonation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-11-16 US disclosed