SCHEMBL9055151

SCHEMBL9055151

CCOC(=O)O[C@@H]1CCCCN1C(=O)[C@H](CCCNc1ncc[nH]1)NS(=O)(=O)c1cc(Cl)c(N)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR10 P46092 2/20 0.37
ITGB3 P05106 12/20 0.35
ITGAV P06756 12/20 0.35
ITGA2B P08514 12/20 0.35
F2 P00734 4/20 0.33
ITGB1 P05556 1/20 0.32
ITGA5 P08648 1/20 0.32

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
SCHEMBL9054455 0.91 CCR10 (0.38) CCR10ITGB3ITGAVITGA2BF2
SCHEMBL9055933 0.88 CCR10 (0.42) CCR10ITGB3ITGAVITGA2B
SCHEMBL9054454 0.85 F2 (0.41) CCR10ITGB3ITGAVITGA2BF2
SCHEMBL9054913 0.83 ALDH1A1 (0.43) CCR10ITGB3ITGAVITGA2BF2
SCHEMBL9062251 0.82 F2 (0.48) ITGB3ITGAVITGA2BF2
SCHEMBL9056658 0.82 ITGB3 (0.40) CCR10ITGB3ITGAVITGA2BF2
SCHEMBL9055193 0.82 ITGB3 (0.39) CCR10ITGB3ITGAVITGA2BF2
SCHEMBL9055170 0.82 F2 (0.38) ITGB3ITGAVITGA2BF2
SCHEMBL9055094 0.82 ITGB3 (0.40) CCR10ITGB3ITGAVITGA2BF2
SCHEMBL9057513 0.81 ITGB3 (0.38) ITGB3ITGAVITGA2BF2

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