SCHEMBL4876587

SCHEMBL4876587

Cc1[nH]c(C(C)(C)C)nc1-c1ccc(C[C@@H](CC(=O)O)NCc2ccc(OC(C)C)c(Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RX3 P56373 9/20 0.36
KMO O15229 1/20 0.35
MME P08473 1/20 0.35
MMEL1 Q495T6 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
CENPE Q02224 1/20 0.34
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
P2RX2 Q9UBL9 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
SCHEMBL4768217 0.84 MEN1 (0.36) S1PR1S1PR3S1PR5MEN1KMT2A
SCHEMBL5569467 0.79 CENPE (0.39) S1PR1S1PR3S1PR5MEN1KMT2A
SCHEMBL4880118 0.77 S1PR1 (0.37) S1PR1S1PR3S1PR5P2RX3KMO
SCHEMBL4777470 0.77 S1PR1 (0.38) S1PR1S1PR3S1PR5MEN1KMT2A
SCHEMBL4835978 0.76 CENPE (0.44) S1PR1S1PR3S1PR5CENPE
SCHEMBL4776896 0.76 S1PR1 (0.38) S1PR1S1PR3S1PR5MEN1KMT2A
SCHEMBL4777738 0.73 S1PR1 (0.36) S1PR1S1PR3S1PR5MEN1KMT2A
SCHEMBL4722945 0.70 CENPE (0.38) S1PR1S1PR3S1PR5P2RX3CENPE
SCHEMBL4718875 0.69 CENPE (0.45) S1PR1S1PR3S1PR5CENPEMAP4K4
SCHEMBL5569474 0.68 P2RX3 (0.39) S1PR1S1PR3MEN1KMT2AP2RX3

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 claimed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed