SCHEMBL4792889

SCHEMBL4792889

CC(C)Oc1ccc(C(=O)CC(CCO)Cc2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.39
MAP4K4 O95819 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
S1PR1 P21453 10/20 0.37
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
KMO O15229 2/20 0.35
KIFC1 Q9BW19 1/20 0.34
P2RX3 P56373 3/20 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
SCHEMBL4882162 1.00 CENPE (0.39) CENPEMAP4K4MINK1S1PR1S1PR3
SCHEMBL5569744 0.89 THRA (0.36) S1PR1P2RX3
SCHEMBL14031435 0.87 DHODH (0.43) CENPEMAP4K4MINK1S1PR1S1PR3
SCHEMBL5565637 0.86 CENPE (0.39) CENPEMAP4K4MINK1S1PR1S1PR3
SCHEMBL5565628 0.86 CENPE (0.39) CENPEMAP4K4MINK1S1PR1S1PR3
SCHEMBL3462435 0.85 CENPE (0.54) CENPEMAP4K4MINK1S1PR1S1PR3
SCHEMBL13161714 0.85 CENPE (0.54) CENPEMAP4K4MINK1S1PR1S1PR3
SCHEMBL14529933 0.84 S1PR1 (0.36) CENPEMAP4K4MINK1S1PR1S1PR3
SCHEMBL5568783 0.83 S1PR1 (0.34) CENPEMAP4K4MINK1S1PR1S1PR3
SCHEMBL5568781 0.83 S1PR1 (0.34) CENPEMAP4K4MINK1S1PR1S1PR3

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-1942732-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed