SCHEMBL8771983

SCHEMBL8771983

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.55
CTSS P25774 5/20 0.55
CTSK P43235 4/20 0.55
CTSB P07858 2/20 0.55
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MAP1LC3B Q9GZQ8 1/20 0.46
MAP1LC3A Q9H492 1/20 0.46
AAK1 Q2M2I8 2/20 0.46
REN P00797 1/20 0.43
CAPN1 P07384 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
SCHEMBL8605260 0.90 CTSS (0.52) CTSLCTSSCTSKCTSBMMP2
SCHEMBL8772014 0.85 CTSK (0.53) CTSLCTSSCTSKCTSBMMP2
SCHEMBL9230213 0.84 MMP2 (0.45) CTSLCTSSCTSKCTSBMMP2
SCHEMBL8771945 0.84 MTNR1A (0.48) CTSLCTSSCTSKCTSBMMP2
SCHEMBL8771755 0.82 CTSS (0.56) CTSLCTSSCTSKCTSBMMP2
SCHEMBL8603253 0.82 MMP2 (0.45) CTSSCTSKMMP2MMP3AAK1
SCHEMBL5686114 0.81 CTSS (0.63) CTSLCTSSCTSKCTSBREN
SCHEMBL8603257 0.81 MMP2 (0.45) CTSSCTSKMMP2MMP3AAK1
SCHEMBL18750485 0.79 SCN9A (0.66) CTSLCTSSCTSKCTSBMAP1LC3B
SCHEMBL8771886 0.78 SCN9A (0.59) 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