SCHEMBL9508318

SCHEMBL9508318

C=CC(CC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.48
CTSS P25774 2/20 0.48
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CYP2D6 P10635 1/20 0.43
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
PREP P48147 1/20 0.40
TRPA1 O75762 2/20 0.39
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL24575146 0.78 CTSK (0.55) CTSKCTSSCA2CA1CA7
SCHEMBL14389814 0.77 CTSK (0.56) CTSKCTSSCA2CA1CA7
SCHEMBL12652419 0.77 CTSK (0.56) CTSKCTSSCA2CA1CA7
SCHEMBL20963293 0.77 CTSK (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL9506465 0.77 CTSK (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL9507143 0.77 CTSK (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL9508444 0.76 KLK5 (0.53) CTSKCTSSCTSLCTSB
SCHEMBL17268414 0.75 CTSK (0.55) CTSKCTSSCA2CA1CA7
SCHEMBL4751952 0.75 CTSK (0.59) CTSKCTSSCA2CA1CA7
SCHEMBL17268444 0.75 CTSK (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556405-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY Japan Tobacco Inc. (JP) 1993-08-25 EP disclosed
WO-1993004080-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY JAPAN TOBACCO INC. (JP) 1993-03-04 WO disclosed