Phenyl Methyl Borinic Acid

Phenyl Methyl Borinic Acid

SCHEMBL8155181

CB(O)c1ccccc1.CCB(O)c1ccccc1.OB(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.47

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 2/20 0.37
ORAI1 Q96D31 2/20 0.35
ORAI2 Q96SN7 2/20 0.35
ORAI3 Q9BRQ5 2/20 0.35
TRPV6 Q9H1D0 2/20 0.35
TDP1 Q9NUW8 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
Phenyl Methyl Borinic Acid SCHEMBL8160699 0.83
SCHEMBL7177934 0.82 TRPV6 (0.52) PCSK9ORAI1ORAI2ORAI3TRPV6
SCHEMBL12266366 0.76 ORAI1 (0.52) PCSK9ORAI1ORAI2ORAI3TRPV6
SCHEMBL12266163 0.75 LPL (0.47) TDP1
SCHEMBL7647715 0.73 PCSK9 (0.61) PCSK9ORAI1ORAI2ORAI3TRPV6
SCHEMBL12266207 0.72 SIGMAR1 (0.43) TDP1
SCHEMBL5571942 0.71 CYP1A2 (0.48) ORAI1ORAI2ORAI3TDP1
SCHEMBL13383567 0.71 CYP1A2 (0.42) PCSK9ORAI1ORAI2ORAI3TRPV6
Phenylboronic Acid SCHEMBL3985819 0.70 ENPP2 (0.56) PCSK9ORAI1ORAI2ORAI3TRPV6
SCHEMBL14500178 0.68 ALDH1A1 (0.41) TDP1

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-2000018773-A1 CHEMICAL COMPOUND TARGOR GMBH (DE) 2000-04-06 WO disclosed