SCHEMBL11299562

SCHEMBL11299562

CCC[C@H](NC(=O)[C@H](C)NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)N[C@@H](C)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.44
CTSK P43235 1/20 0.43
CACNA1H O95180 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
MME P08473 1/20 0.38
ECE1 P42892 1/20 0.38

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
SCHEMBL11304064 0.96 CTSK (0.43) RENCTSKCACNA1HCTSLCTSS
SCHEMBL11305172 0.95 CTSK (0.46) RENCTSKCACNA1HCTSLCTSS
SCHEMBL11306282 0.92 PRSS1 (0.43) CTSKCACNA1HCTSLCTSSMME
SCHEMBL11298243 0.91 CTSK (0.42) CTSKCACNA1HMMEECE1
SCHEMBL11298770 0.91 CPA1 (0.41) RENCTSKCACNA1H
SCHEMBL11307649 0.91 LGMN (0.43) CACNA1HMMEECE1
SCHEMBL11304755 0.90 CTSK (0.42) CTSKMMEECE1
SCHEMBL11303050 0.89 CTSK (0.42) CTSKCACNA1HCTSLCTSS
SCHEMBL11308607 0.88 CTSK (0.43) CTSKCACNA1HCTSLCTSS
SCHEMBL11304447 0.87 CACNA1H (0.41) CTSKCACNA1HMMEECE1

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
US-4250085-A PHOSPHONATE-CONTAINING OLIGOPEPTIDES, BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1981-02-10 US disclosed