SCHEMBL4838728

SCHEMBL4838728

CC(C)Oc1ccc(C(=O)NCCC(O)Cc2ccc(-c3c[nH]c(CCC=O)n3)cc2)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.45
S1PR1 P21453 11/20 0.41
XDH P47989 4/20 0.38
S1PR5 Q9H228 6/20 0.38
S1PR3 Q99500 3/20 0.38

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
SCHEMBL4774986 0.77 CENPE (0.50) CENPES1PR1XDHS1PR5S1PR3
SCHEMBL13584373 0.76 CENPE (0.52) CENPES1PR1XDHS1PR5S1PR3
SCHEMBL4899980 0.75 CENPE (0.47) CENPES1PR1S1PR5S1PR3
SCHEMBL13584416 0.75 CENPE (0.62) CENPES1PR1XDHS1PR5S1PR3
SCHEMBL4837737 0.75 CENPE (0.49) CENPES1PR1XDHS1PR5S1PR3
SCHEMBL3462485 0.71 CENPE (0.64) CENPES1PR1XDHS1PR5S1PR3
SCHEMBL13162058 0.71 CENPE (0.64) CENPES1PR1XDHS1PR5S1PR3
SCHEMBL4774663 0.71 CENPE (0.44) CENPES1PR1S1PR5S1PR3
SCHEMBL13184025 0.70 CENPE (0.40) CENPES1PR1
SCHEMBL4722601 0.70 GCGR (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 EP disclosed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 EP disclosed
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 WO disclosed