SCHEMBL14923047

SCHEMBL14923047

C=C/C=C(\C=C/C)B(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 2/20 0.35
▸ ORAI1 Q96D31 1/20 0.35
▸ ORAI2 Q96SN7 1/20 0.35
▸ ORAI3 Q9BRQ5 1/20 0.35
▸ TRPV6 Q9H1D0 1/20 0.35
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL20031926 0.84 PCSK9 (0.34) PCSK9ORAI1ORAI2ORAI3TRPV6
SCHEMBL21148081 0.83 ORAI1 (0.37) PCSK9ORAI1ORAI2ORAI3TRPV6
SCHEMBL23542803 0.81 — —
SCHEMBL21778882 0.78 — —
SCHEMBL23570765 0.76 CA4 (0.32) PCSK9ORAI1ORAI2ORAI3TRPV6
SCHEMBL21147723 0.69 TRPV6 (0.41) PCSK9ORAI1ORAI2ORAI3TRPV6
SCHEMBL14234423 0.68 AKT1 (0.38) —
SCHEMBL23219892 0.68 PCSK9 (0.35) PCSK9ORAI1ORAI2ORAI3TRPV6
SCHEMBL12290395 0.68 — —
SCHEMBL23026435 0.67 CA4 (0.30) PCSK9ORAI1ORAI2ORAI3TRPV6

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-1725079-B1 COMPOSITION FOR CHARGE-TRANSPORTING FILM AND ION COMPOUND, CHARGE-TRANSPORTING FILM AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME, AND METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT DEVICE AND METHOD FOR PRODUCING CHARGE-TRANSPORTING FILM MITSUBISHI CHEM CORP (JP) 2013-05-08 — — EP disclosed
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