SCHEMBL9056658

SCHEMBL9056658

CCOC(=O)O[C@@H]1CCCCN1C(=O)[C@H](CCCNc1ncc[nH]1)NS(=O)(=O)c1cccc2c(C)ccnc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.40
ITGAV P06756 11/20 0.40
ITGA2B P08514 10/20 0.40
F2 P00734 6/20 0.39
CCR10 P46092 1/20 0.36

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
SCHEMBL9055686 0.93 ITGB3 (0.43) ITGB3ITGAVITGA2BF2CCR10
SCHEMBL9054913 0.91 ALDH1A1 (0.43) ITGB3ITGAVITGA2BF2CCR10
SCHEMBL9055193 0.89 ITGB3 (0.39) ITGB3ITGAVITGA2BF2CCR10
SCHEMBL9058970 0.88 F2 (0.54) F2
SCHEMBL9055679 0.87 F2 (0.43) ITGB3ITGAVITGA2BF2CCR10
SCHEMBL9055118 0.87 ITGB3 (0.42) ITGB3ITGAVITGA2BF2CCR10
SCHEMBL9055882 0.86 ITGB3 (0.38) ITGB3ITGAVITGA2BF2
SCHEMBL9055094 0.85 ITGB3 (0.40) ITGB3ITGAVITGA2BF2CCR10
SCHEMBL9055617 0.85 F2 (0.44) ITGB3ITGAVITGA2BF2
SCHEMBL9055985 0.83 F2 (0.54) ITGB3ITGAVITGA2BF2CCR10

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
WO-1996002517-A1 SUBSTITUTED ARYLSULFONAMIDES, THEIR PREPARATION AND USE AS THROMBIN-INHIBITING MEDICAMENTS DR. KARL THOMAE GMBH (DE) 1996-02-01 WO disclosed