SCHEMBL19772388

SCHEMBL19772388

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 2/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 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

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
SCHEMBL23219892 0.86 PCSK9 (0.35) PCSK9CA4CA6CA5ACA7
SCHEMBL23570765 0.84 CA4 (0.32) PCSK9CA4CA6CA5ACA7
SCHEMBL21147723 0.81 TRPV6 (0.41) PCSK9CA4CA6CA5ACA7
SCHEMBL20031926 0.77 PCSK9 (0.34) PCSK9CA4CA6CA5ACA7
SCHEMBL21778882 0.74 — —
SCHEMBL23026435 0.70 CA4 (0.30) PCSK9CA4CA6CA5ACA7
SCHEMBL12319486 0.69 — —
SCHEMBL18627800 0.66 AKT1 (0.39) —
SCHEMBL14597261 0.66 CA4 (0.37) CA4
SCHEMBL2553036 0.65 AKT1 (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-9868694-B2 Process for preparing chlorinated biphenylanilides and biphenylanilines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-16 — — US disclosed
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