SCHEMBL4195534

SCHEMBL4195534

NB(C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV6 Q9H1D0 4/20 0.43
▸ ORAI1 Q96D31 3/20 0.43
▸ ORAI2 Q96SN7 3/20 0.43
▸ ORAI3 Q9BRQ5 3/20 0.43
▸ CA4 P22748 3/20 0.43
▸ CA6 P23280 3/20 0.43
▸ CA5A P35218 3/20 0.43
▸ CA7 P43166 3/20 0.43
▸ CA14 Q9ULX7 3/20 0.43
▸ CA5B Q9Y2D0 3/20 0.43
▸ ENPP2 Q13822 1/20 0.43
▸ PCSK9 Q8NBP7 1/20 0.43
▸ TSHR P16473 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40

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
Water SCHEMBL27835251 0.97 TRPV6 (0.42) TRPV6ORAI1ORAI2ORAI3CA4
Water SCHEMBL27756194 0.73 KCNN4 (0.42) TRPV6ORAI1ORAI2ORAI3CA4
Hydrochloric Acid SCHEMBL27777007 0.72 KCNN4 (0.41) CA4CA6CA5ACA7CA14
SCHEMBL8610334 0.70 TRPV6 (0.52) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL8661807 0.69 — —
Phenylboronic Acid SCHEMBL6701482 0.68 ENPP2 (0.74) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL28972078 0.68 ORAI1 (0.43) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL8869987 0.68 ORAI1 (0.43) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL7189566 0.67 ORAI1 (0.47) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL15514665 0.67 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2047272-A1 ELECTROCHEMICAL DETERMINATION SYSTEM OF GLYCATED PROTEINS i-Sens, Inc. (KR) 2009-04-15 — — EP disclosed
WO-2008016193-A1 ELECTROCHEMICAL DETERMINATION SYSTEM OF GLYCATED PROTEINS I-SENS, INC. (KR) 2008-02-07 — — WO disclosed
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