SCHEMBL11301294

SCHEMBL11301294

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.60
CTSL P07711 4/20 0.55
CTSS P25774 3/20 0.55
KYNU Q16719 1/20 0.49
TACR1 P25103 1/20 0.49
MME P08473 1/20 0.48
ECE1 P42892 1/20 0.48
CTSB P07858 2/20 0.48
SIRT2 Q8IXJ6 5/20 0.48
SIRT1 Q96EB6 4/20 0.48
SIRT3 Q9NTG7 3/20 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
SCHEMBL11301687 0.98 CTSK (0.58) CTSKCTSLCTSSKYNUTACR1
SCHEMBL11288444 0.83 CTSS (0.62) CTSKCTSLCTSSKYNUTACR1
SCHEMBL11293252 0.83 CTSK (0.64) CTSKCTSLCTSSKYNUTACR1
SCHEMBL11298780 0.82 CTSK (0.42) CTSKCTSLCTSSMMEECE1
SCHEMBL11569308 0.82 CTSK (0.60) CTSKCTSLCTSSKYNUTACR1
SCHEMBL11306962 0.82 CTSK (0.63) CTSKCTSLCTSSKYNUMME
SCHEMBL11301683 0.81 CTSS (0.60) CTSKCTSLCTSSMMEECE1
SCHEMBL24853552 0.80 CTSK (0.63) CTSKCTSLCTSSKYNUTACR1
SCHEMBL29248976 0.80 CTSK (0.63) CTSKCTSLCTSSKYNUTACR1
SCHEMBL15278241 0.80 CTSK (0.63) CTSKCTSLCTSSKYNUTACR1

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