SCHEMBL11567663

SCHEMBL11567663

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.57
ELANE P08246 2/20 0.54
MME P08473 1/20 0.54
ECE1 P42892 1/20 0.54
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
CYP1A2 P05177 1/20 0.52
ATM Q13315 1/20 0.51
PRTN3 P24158 1/20 0.51

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
SCHEMBL11030901 1.00 CTSK (0.57) CTSKELANEMMEECE1CTSL
SCHEMBL11568471 1.00 CTSK (0.57) CTSKELANEMMEECE1CTSL
SCHEMBL11305760 0.99 CTSK (0.56) CTSKELANEMMEECE1CTSL
SCHEMBL11307484 0.92 CTSK (0.53) CTSKELANEMMEECE1
SCHEMBL4163321 0.90 ELANE (0.60) CTSKELANEMMEECE1CTSL
SCHEMBL8740045 0.90 ELANE (0.60) CTSKELANEMMEECE1CTSL
SCHEMBL11567174 0.90 ELANE (0.60) CTSKELANEMMEECE1CTSL
SCHEMBL11310090 0.90 CTSK (0.57) CTSKMMEECE1CTSLCTSB
SCHEMBL11301087 0.90 CTSK (0.53) CTSKMMEECE1CTSLCTSB
SCHEMBL11300848 0.88 CTSK (0.60) CTSKMMEECE1CTSLCTSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4134972-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1979-01-16 US disclosed
US-4127649-A PEPTIDES HOFFMANN-LA ROCHE INC. (US) 1978-11-28 US disclosed
US-4100275-A PEPTIDES HOFFMANN-LA ROCHE INC. (US) 1978-07-11 US disclosed