SCHEMBL19731367

SCHEMBL19731367

CCNC(=O)NC(=O)C(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(-c3ccccc3)nc(OC)c2C=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAS1 P04201 1/20 0.73
AGTR2 P50052 11/20 0.37
PPARG P37231 2/20 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
SCHEMBL15045765 0.84 MAS1 (1.00) MAS1AGTR2
SCHEMBL1334134 0.82 MAS1 (0.74) MAS1AGTR2
SCHEMBL24019097 0.82 MAS1 (0.69) MAS1AGTR2
SCHEMBL3975878 0.82 MAS1 (0.73) MAS1AGTR2
SCHEMBL29701254 0.82 MAS1 (0.73) MAS1AGTR2
SCHEMBL18768098 0.80 MAS1 (0.87) MAS1AGTR2
SCHEMBL24019101 0.79 MAS1 (0.85) MAS1AGTR2
Tromethamine SCHEMBL3912101 0.79 MAS1 (0.69) MAS1AGTR2
SCHEMBL24637550 0.79 MAS1 (0.85) MAS1AGTR2
SCHEMBL3908044 0.79 MAS1 (0.69) MAS1AGTR2

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-2017218623-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF EPIDERMOLYSIS BULLOSA TARIX ORPHAN LLC (US) 2017-12-21 WO disclosed