SCHEMBL8318232

SCHEMBL8318232

CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCC(c3ccc(OCC(=O)O)cc3)n3ccnc3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.42
WDR77 Q9BQA1 4/20 0.42
CYP24A1 Q07973 8/20 0.41
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
CYP26A1 O43174 1/20 0.38
CYP3A4 P08684 1/20 0.38
F2 P00734 1/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
CYP17A1 P05093 1/20 0.38

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
SCHEMBL8319550 0.90 PRMT5 (0.42) PRMT5WDR77CYP24A1HDAC6CYP17A1
SCHEMBL8319561 0.88 CYP24A1 (0.41) PRMT5WDR77CYP24A1HDAC6
SCHEMBL8319557 0.88 CYP24A1 (0.42) PRMT5WDR77CYP24A1HDAC6
SCHEMBL8314351 0.87 PRMT5 (0.49) PRMT5WDR77ITGB3ITGA2BHDAC6
SCHEMBL8457084 0.83 PRMT5 (0.45) PRMT5WDR77ITGB3ITGA2BHDAC6
SCHEMBL8315226 0.82 ITGB3 (0.61) CYP24A1ITGB3ITGA2BCYP26A1CYP3A4
SCHEMBL8455279 0.80 ITGB3 (0.60) PRMT5WDR77ITGB3ITGA2BHDAC6
SCHEMBL8558144 0.80 ITGB3 (0.45) PRMT5WDR77ITGB3ITGA2BHDAC6
Trifluoroacetic Acid SCHEMBL8320411 0.79 ITGB3 (0.56) CYP24A1ITGB3ITGA2BTPSAB1TPSD1
SCHEMBL8560838 0.79 PRMT5 (0.46) PRMT5WDR77ITGB3ITGA2BHDAC6

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