SCHEMBL15744762

SCHEMBL15744762

COB(OC)c1ccc(B(OC)OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
ENPP2 Q13822 1/20 0.38
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
ORAI1 Q96D31 1/20 0.30
ORAI2 Q96SN7 1/20 0.30
ORAI3 Q9BRQ5 1/20 0.30
TRPV6 Q9H1D0 1/20 0.30

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
SCHEMBL18125392 0.91 CA1 (0.35) CA2CA1ENPP2
SCHEMBL18124820 0.91 CA1 (0.35) CA2CA1ENPP2
SCHEMBL5953326 0.88 CA2 (0.48) CA2CA1ENPP2CA7CA9
SCHEMBL13308147 0.86 CA1 (0.58) CA2CA1ENPP2CA12CA7
SCHEMBL14983340 0.86 ENPP2 (0.46) CA2CA1ENPP2ORAI1ORAI2
SCHEMBL14983372 0.86 TDP1 (0.46) CA14
SCHEMBL14983341 0.86 ORAI1 (0.46) CA2CA1ENPP2CA7CA9
SCHEMBL14983349 0.86 CA1 (0.46) CA2CA1ENPP2
SCHEMBL309077 0.84 CA4 (0.48) CA2CA1ENPP2CA12CA7
SCHEMBL14985986 0.82 CYP1A1 (0.41)

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-20140148596-A1 Covalent Organic Frameworks and Methods of Making Same CORNELL UNIVERSITY (US) 2014-05-29 US disclosed