SCHEMBL7345617

SCHEMBL7345617

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.63
CTSS P25774 3/20 0.63
PSENEN Q9NZ42 1/20 0.48
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
PREP P48147 1/20 0.45
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
TRPA1 O75762 1/20 0.44
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL22371978 1.00 CTSK (0.63) CTSKCTSSPSENENCA2CA1
SCHEMBL22371977 1.00 CTSK (0.63) CTSKCTSSPSENENCA2CA1
SCHEMBL7018649 1.00 CTSK (0.63) CTSKCTSSPSENENCA2CA1
SCHEMBL15671593 1.00 CTSK (0.63) CTSKCTSSPSENENCA2CA1
SCHEMBL3087516 1.00 CTSK (0.63) CTSKCTSSPSENENCA2CA1
SCHEMBL7345607 1.00 CTSK (0.63) CTSKCTSSPSENENCA2CA1
SCHEMBL22371979 1.00 CTSK (0.63) CTSKCTSSPSENENCA2CA1
SCHEMBL59323 0.93 CTSK (0.61) CTSKCTSSCA2CA1CA7
SCHEMBL467994 0.93 CTSK (0.61) CTSKCTSSCA2CA1CA7
SCHEMBL256794 0.93 CTSK (0.61) CTSKCTSSCA2CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990005141-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUKOCYTIC ELASTASE AND COLLAGENASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1990-05-17 WO disclosed
EP-0204775-A4 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE. UNIV TROBE (AU) 1989-10-04 EP disclosed
EP-0204775-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1986-12-17 EP disclosed
WO-1986003746-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE LA TROBE UNIVERSITY (AU) 1986-07-03 WO disclosed