SCHEMBL3688178

SCHEMBL3688178

CC(C)C(NS(=O)(=O)C=Cc1ccccc1)P(=O)(O)OC(C(=O)O)c1cccc(N(C(=O)OC(C)(C)C)C(N)=NC(=O)OC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
GAA P10253 1/20 0.31

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
SCHEMBL3696034 0.86 ITGB1 (0.32)
SCHEMBL3686706 0.81 CNR1 (0.32)
SCHEMBL2352504 0.81 BACE1 (0.40)
SCHEMBL2352542 0.81 HTT (0.36) HTTGAA
SCHEMBL2352538 0.81 HTT (0.36) HTTGAA
SCHEMBL2349106 0.76 BACE1 (0.39)
SCHEMBL3690224 0.76 BACE1 (0.39)
SCHEMBL2356138 0.76 HTT (0.42) HTTGAA
SCHEMBL3687462 0.76 ITGB1 (0.30)
SCHEMBL3688466 0.76 ITGB1 (0.30)

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-2204373-A1 Phosphonic acid as Plasma Carboxypeptidase B Inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2010-07-07 EP disclosed