SCHEMBL11307484

SCHEMBL11307484

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.53
MME P08473 2/20 0.48
ECE1 P42892 2/20 0.48
CAPN1 P07384 1/20 0.48
ELANE P08246 1/20 0.47
MMP3 P08254 1/20 0.47
PSMB8 P28062 1/20 0.47
PSMB9 P28065 1/20 0.47
PSMB5 P28074 1/20 0.47

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
SCHEMBL11301087 0.96 CTSK (0.53) CTSKMMEECE1
SCHEMBL11304013 0.93 CTSK (0.55) CTSKELANE
SCHEMBL11030901 0.92 CTSK (0.57) CTSKMMEECE1ELANE
SCHEMBL11567663 0.92 CTSK (0.57) CTSKMMEECE1ELANE
SCHEMBL11568471 0.92 CTSK (0.57) CTSKMMEECE1ELANE
SCHEMBL11305760 0.91 CTSK (0.56) CTSKMMEECE1ELANE
SCHEMBL11310090 0.89 CTSK (0.57) CTSKMMEECE1MMP3
SCHEMBL11300848 0.85 CTSK (0.60) CTSKMMEECE1
SCHEMBL29577075 0.85 CTSK (0.60) CTSKCAPN1PSMB8PSMB9PSMB5
SCHEMBL4561159 0.85 CTSK (0.60) CTSKCAPN1PSMB8PSMB9PSMB5

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