SCHEMBL8319848

SCHEMBL8319848

CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCC(=O)c3ccc(OCC(=O)O)c(Cn4ccnc4)c3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.47
ITGA2B P08514 9/20 0.47
TBXAS1 P24557 2/20 0.40
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
NAMPT P43490 3/20 0.37
HDAC6 Q9UBN7 1/20 0.36
PRMT5 O14744 3/20 0.35
WDR77 Q9BQA1 3/20 0.35
BRD4 O60885 1/20 0.35
CYP2C9 P11712 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
SCHEMBL8317945 0.87 ITGB3 (0.53) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8553064 0.86 ITGB3 (0.62) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8317194 0.85 ITGB3 (0.50) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8320720 0.84 ITGB3 (0.46) ITGB3ITGA2BNAMPTHDAC6PRMT5
SCHEMBL8317508 0.82 ITGB3 (0.70) ITGB3ITGA2BTBXAS1ALDH1A1GAA
SCHEMBL8832621 0.81 ITGB3 (0.62) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8455279 0.81 ITGB3 (0.60) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8554664 0.81 ITGB3 (0.56) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8556843 0.80 ITGB3 (0.48) ITGB3ITGA2BHDAC6PRMT5WDR77
Trifluoroacetic Acid SCHEMBL8318810 0.80 ITGB3 (0.65) ITGB3ITGA2BTBXAS1ALDH1A1GAA

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