SCHEMBL8320720

SCHEMBL8320720

CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCC(=O)c3ccc(OCC(=O)O)c(COc4cccnc4)c3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.46
ITGA2B P08514 8/20 0.46
PRMT5 O14744 4/20 0.38
WDR77 Q9BQA1 4/20 0.38
NAMPT P43490 2/20 0.36
CYP2C9 P11712 1/20 0.36
GPR119 Q8TDV5 4/20 0.36
HDAC6 Q9UBN7 1/20 0.35
GCK P35557 1/20 0.35

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
SCHEMBL8317194 0.86 ITGB3 (0.50) ITGB3ITGA2BPRMT5WDR77HDAC6
SCHEMBL8317945 0.86 ITGB3 (0.53) ITGB3ITGA2BPRMT5WDR77HDAC6
SCHEMBL8553064 0.85 ITGB3 (0.62) ITGB3ITGA2BPRMT5WDR77HDAC6
SCHEMBL8319848 0.84 ITGB3 (0.47) ITGB3ITGA2BPRMT5WDR77NAMPT
SCHEMBL8554664 0.82 ITGB3 (0.56) ITGB3ITGA2BPRMT5WDR77HDAC6
SCHEMBL8455279 0.82 ITGB3 (0.60) ITGB3ITGA2BPRMT5WDR77HDAC6
SCHEMBL8318299 0.81 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL8832621 0.80 ITGB3 (0.62) ITGB3ITGA2BPRMT5WDR77HDAC6
Trifluoroacetic Acid SCHEMBL8318794 0.80 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL8317908 0.80 ITGB3 (0.42) ITGB3ITGA2BPRMT5WDR77NAMPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed