SCHEMBL17698481

SCHEMBL17698481

[CH2]c1ccc(B(O)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 7/20 0.70
ORAI1 Q96D31 6/20 0.70
ORAI2 Q96SN7 6/20 0.70
ORAI3 Q9BRQ5 6/20 0.70
PCSK9 Q8NBP7 2/20 0.70
ENPP2 Q13822 2/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
MGLL Q99685 2/20 0.41

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
SCHEMBL2412647 0.87 TRPV6 (0.93) TRPV6ORAI1ORAI2ORAI3PCSK9
Diphenyl Borinic Acid SCHEMBL40601 0.84 TRPV6 (1.00) TRPV6ORAI1ORAI2ORAI3PCSK9
Diphenyl Borinic Acid SCHEMBL28080639 0.81 TRPV6 (0.93) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL3275789 0.79 TRPV6 (0.61) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2407457 0.77 TRPV6 (0.74) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2406379 0.76 TRPV6 (0.82) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL12266144 0.75 TRPV6 (0.80) TRPV6ORAI1ORAI2ORAI3PCSK9
Diphenyl Borinic Acid SCHEMBL20694919 0.74 TRPV6 (0.78) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2406124 0.74 TRPV6 (0.78) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL41149 0.73 ENPP2 (0.55) ENPP2CA4CA6CA5ACA7

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
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP claimed