SCHEMBL7166242

SCHEMBL7166242

OB(O)c1cccc(B(O)O)c1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.44
ORAI1 Q96D31 1/20 0.42
ORAI2 Q96SN7 1/20 0.42
ORAI3 Q9BRQ5 1/20 0.42
MGLL Q99685 2/20 0.37
LIPG Q9Y5X9 1/20 0.37
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LIPE Q05469 1/20 0.35
MAPT P10636 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
SCHEMBL31155098 0.84 ALDH1A1 (0.42) ENPP2ORAI1ORAI2ORAI3LIPG
SCHEMBL910660 0.80 ALDH1A1 (0.44) ENPP2ORAI1ORAI2ORAI3MGLL
SCHEMBL27815400 0.77 ALDH1A1 (0.46) CA4CA6CA7CA14CA1
SCHEMBL1396708 0.77 MGLL (0.38) ENPP2ORAI1ORAI2ORAI3MGLL
SCHEMBL346128 0.76 ENPP2 (0.57) ENPP2ORAI1ORAI2ORAI3MGLL
SCHEMBL2399704 0.75 MAPT (0.44) ENPP2ORAI1ORAI2ORAI3LIPG
SCHEMBL29595177 0.75 MAPT (0.44) ENPP2ORAI1ORAI2ORAI3LIPG
SCHEMBL61913 0.75 ALDH1A1 (0.50) ENPP2LIPGCA4CA6CA5A
SCHEMBL18171925 0.73 LIPE (0.44) ENPP2ORAI1ORAI2ORAI3LIPE
SCHEMBL18171928 0.73 LIPE (0.44) ENPP2ORAI1ORAI2ORAI3LIPG

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-6566429-B2 Mixture of polymer and aromatic boronic compound UNIVERSITY OF SOUTH CAROLINA 2003-05-20 US disclosed