SCHEMBL4720522

SCHEMBL4720522

CCc1[nH]c([C@@H](C)NC(=O)OC)nc1-c1ccc(C[C@@H](CCO)NC(=O)c2ccc(OC(C)C)c(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.43
TAS1R3 Q7RTX0 6/20 0.38
TAS1R1 Q7RTX1 6/20 0.38
KIFC1 Q9BW19 1/20 0.38
TOP2A P11388 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MME P08473 1/20 0.34
S1PR1 P21453 3/20 0.33
MAP4K4 O95819 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
PRCP P42785 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL4722632 0.92 CENPE (0.42) CENPETAS1R3TAS1R1KIFC1TOP2A
SCHEMBL4717914 0.86 CENPE (0.42) CENPETAS1R3TAS1R1KIFC1TOP2A
SCHEMBL3219681 0.80 CENPE (0.51) CENPETAS1R3TAS1R1KIFC1S1PR1
SCHEMBL4720739 0.80 CENPE (0.45) CENPETAS1R3TAS1R1KIFC1TOP2A
SCHEMBL2617416 0.79 CENPE (0.52) CENPETAS1R3TAS1R1KIFC1S1PR1
SCHEMBL3462429 0.79 CENPE (0.52) CENPETAS1R3TAS1R1KIFC1S1PR1
SCHEMBL3228261 0.79 CENPE (0.52) CENPETAS1R3TAS1R1KIFC1S1PR1
SCHEMBL13644431 0.78 CENPE (0.45) CENPETAS1R3TAS1R1KIFC1S1PR1
SCHEMBL4718279 0.77 CENPE (0.46) CENPETAS1R3TAS1R1KIFC1TOP2A
SCHEMBL3234403 0.76 CENPE (0.51) CENPETAS1R3TAS1R1KIFC1S1PR1

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-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP claimed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed