SCHEMBL4777470

SCHEMBL4777470

Cc1[nH]c(C(C)(C)C)nc1-c1ccc(C[C@@H](CCO)CCc2ccc(OC(C)C)c(Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 1/20 0.38
CSNK2A1 P68400 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
MAP4K4 O95819 2/20 0.33
MINK1 Q8N4C8 2/20 0.33
GRM2 Q14416 2/20 0.32
KMO O15229 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
PRKCD Q05655 1/20 0.32

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
SCHEMBL4777738 0.87 S1PR1 (0.36) S1PR1S1PR3S1PR5CSNK2A1MEN1
SCHEMBL4880118 0.86 S1PR1 (0.37) S1PR1S1PR3S1PR5CSNK2A1MAP4K4
SCHEMBL4876587 0.77 S1PR1 (0.39) S1PR1S1PR3S1PR5MEN1KMT2A
SCHEMBL4768217 0.73 MEN1 (0.36) S1PR1S1PR3S1PR5CSNK2A1KDM4E
SCHEMBL4835978 0.71 CENPE (0.44) S1PR1S1PR3S1PR5
SCHEMBL4722945 0.70 CENPE (0.38) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL14529933 0.66 S1PR1 (0.36) S1PR1S1PR3S1PR5CSNK2A1MAP4K4
SCHEMBL5569938 0.65 S1PR1 (0.34) S1PR1S1PR3S1PR5CSNK2A1MAP4K4
SCHEMBL5568783 0.65 S1PR1 (0.34) S1PR1S1PR3S1PR5CSNK2A1MAP4K4
SCHEMBL5568781 0.65 S1PR1 (0.34) S1PR1S1PR3S1PR5CSNK2A1MAP4K4

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