SCHEMBL4839632

SCHEMBL4839632

CCCOc1ccc(/C=C/[C@H](CCO)Cc2ccc(-c3c[nH]c(CC(C)(C)C)n3)cc2)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.32
TRPV3 Q8NET8 1/20 0.32
S1PR1 P21453 1/20 0.30

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
SCHEMBL5565856 0.81 CSNK2A1 (0.33) CSNK2A1TRPV3S1PR1
SCHEMBL4880126 0.74 FAAH (0.32) CSNK2A1TRPV3
SCHEMBL4776899 0.74 MEN1 (0.37) CSNK2A1TRPV3
SCHEMBL5565852 0.69 S1PR1 (0.36) CSNK2A1S1PR1
SCHEMBL5565859 0.69 S1PR1 (0.36) CSNK2A1S1PR1
SCHEMBL5569436 0.65 CSNK2A1 (0.41) CSNK2A1S1PR1
SCHEMBL5569431 0.65 CSNK2A1 (0.41) CSNK2A1S1PR1
SCHEMBL4718876 0.63 CENPE (0.36)
SCHEMBL4722601 0.63 GCGR (0.43) CSNK2A1
SCHEMBL4777487 0.62 PPARG (0.43) CSNK2A1S1PR1

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