SCHEMBL8771992

SCHEMBL8771992

CC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)Oc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.50
CTSS P25774 5/20 0.50
TRPA1 O75762 3/20 0.46
CA2 P00918 1/20 0.40
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
NR3C1 P04150 1/20 0.39
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
ABCB1 P08183 2/20 0.37

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
SCHEMBL8771874 0.85 CTSS (0.49) CTSKCTSSTRPA1CA2KDM4E
SCHEMBL9224387 0.83 CTSS (0.39) CTSKCTSSTRPA1NR3C1MMP2
SCHEMBL8772014 0.82 CTSK (0.53) CTSKCTSSTRPA1CA2CTSL
SCHEMBL8771868 0.81 MAPT (0.48) CTSKCTSSTRPA1CA2ALDH1A1
SCHEMBL8772000 0.74 MMP2 (0.46) CTSKCTSSTRPA1MMP2MMP3
SCHEMBL8771755 0.73 CTSS (0.56) CTSKCTSSCA2CTSLCTSB
SCHEMBL20470212 0.72 CTSS (0.45) CTSKCTSSTRPA1CTSLCTSB
SCHEMBL20470211 0.72 CTSS (0.45) CTSKCTSSTRPA1CTSLCTSB
SCHEMBL8898673 0.72 CTSK (0.46) CTSKCTSSTRPA1CA2CTSL
SCHEMBL7970715 0.72 CTSS (0.47) CTSKCTSSTRPA1CTSLCTSB

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