SCHEMBL11904863

SCHEMBL11904863

O=CCOB(O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.39
ORAI2 Q96SN7 3/20 0.39
ORAI3 Q9BRQ5 3/20 0.39
TRPV6 Q9H1D0 3/20 0.39
PCSK9 Q8NBP7 2/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
ENPP2 Q13822 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
THRB P10828 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TRPM2 O94759 1/20 0.34

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
SCHEMBL25431949 0.81 ORAI1 (0.37) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL2143307 0.80 CYP3A4 (0.40) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL28545103 0.80 ORAI1 (0.39) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL3734405 0.79 ALDH1A1 (0.36) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL9941370 0.78 AKT1 (0.40) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL9941405 0.77 TRPV6 (0.37) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL363448 0.74 TRPV6 (0.46) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL28390937 0.73 ALOX15 (0.47) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL1722636 0.72 PCSK9 (0.45) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL1660275 0.72 TRPV6 (0.44) ORAI1ORAI2ORAI3TRPV6PCSK9

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-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed