SCHEMBL8772014

SCHEMBL8772014

CC(COc1ccc(C#N)cc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.53
CTSS P25774 3/20 0.53
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
TRPA1 O75762 2/20 0.46
CA2 P00918 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 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
SCHEMBL8772000 0.91 MMP2 (0.46) CTSKCTSSMMP2MMP3TRPA1
SCHEMBL8771755 0.90 CTSS (0.56) CTSKCTSSMMP2MMP3CA2
SCHEMBL8605260 0.86 CTSS (0.52) CTSKCTSSMMP2MMP3CTSL
SCHEMBL8771983 0.85 CTSL (0.55) CTSKCTSSMMP2MMP3CTSL
SCHEMBL8771955 0.84 CTSS (0.44) CTSKCTSSTRPA1CA2
SCHEMBL8603253 0.84 MMP2 (0.45) CTSKCTSSMMP2MMP3
SCHEMBL8772005 0.83 CA2 (0.51) CTSKCTSSTRPA1CA2
SCHEMBL8771906 0.83 MTNR1A (0.50) MMP2MMP3
SCHEMBL9230030 0.83 MMP2 (0.46) CTSKCTSSMMP2MMP3TRPA1
SCHEMBL8771923 0.83 MMP2 (0.46) MMP2MMP3

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-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed