SCHEMBL9055832

SCHEMBL9055832

CCOC(=O)O[C@@H]1CCCCN1C(=O)[C@H](CC[C@H](N)c1ncc[nH]1)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR10 P46092 19/20 0.44
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9057135 0.91 CCR10 (0.48) CCR10
SCHEMBL9054647 0.86 MMP13 (0.34) CCR10ALDH1A1
SCHEMBL9055933 0.86 CCR10 (0.42) CCR10
SCHEMBL9056668 0.84 MMP13 (0.34) ALDH1A1
SCHEMBL9055077 0.82 F2 (0.37)
SCHEMBL9056670 0.82 CCR10 (0.51) CCR10
SCHEMBL9054987 0.81 CCR10 (0.54) CCR10
SCHEMBL9054991 0.81 CCR10 (0.54) CCR10
SCHEMBL9056304 0.80 CCR10 (0.57) CCR10
SCHEMBL9056300 0.80 CCR10 (0.57) CCR10

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