SCHEMBL11299994

SCHEMBL11299994

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.55
ECE1 P42892 4/20 0.49
CASP3 P42574 3/20 0.49
MME P08473 2/20 0.49
CASP1 P29466 2/20 0.49
CASP9 P55211 2/20 0.49
CASP7 P55210 1/20 0.49
CTSB P07858 1/20 0.49
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
CASP4 P49662 1/20 0.48
CASP5 P51878 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
CASP10 Q92851 1/20 0.48
PRTN3 P24158 1/20 0.48

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
SCHEMBL11301057 0.99 CTSK (0.54) CTSKECE1CASP3MMECASP1
SCHEMBL11306962 0.93 CTSK (0.63) CTSKECE1MMECTSBCTSL
SCHEMBL11293252 0.92 CTSK (0.64) CTSKECE1MMECTSBCTSL
SCHEMBL11310090 0.90 CTSK (0.57) CTSKECE1MMECTSBCTSL
SCHEMBL11300848 0.88 CTSK (0.60) CTSKECE1MMECTSLCTSS
SCHEMBL11308831 0.85 CTSK (0.42) CTSKECE1CASP3MMECASP1
SCHEMBL11298243 0.85 CTSK (0.42) CTSKECE1CASP3MMECASP1
SCHEMBL11297116 0.85 CTSK (0.52) CTSKCTSLCTSS
SCHEMBL11304755 0.84 CTSK (0.42) CTSKECE1CASP3MMECASP1
SCHEMBL11299927 0.84 CTSK (0.53) CTSKCTSLCTSS

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