SCHEMBL9230213

SCHEMBL9230213

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.45
MMP3 P08254 1/20 0.45
CTSL P07711 6/20 0.43
CTSS P25774 6/20 0.43
CTSK P43235 6/20 0.43
CTSB P07858 3/20 0.43
AAK1 Q2M2I8 2/20 0.41
EGLN2 Q96KS0 1/20 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
SCHEMBL9230030 0.85 MMP2 (0.46) MMP2MMP3CTSSCTSKEGLN2
SCHEMBL9230882 0.85 MMP2 (0.46) MMP2MMP3CTSSCTSKAAK1
SCHEMBL9220783 0.84 MMP2 (0.44) MMP2MMP3CTSLCTSSCTSK
SCHEMBL8771983 0.84 CTSL (0.55) MMP2MMP3CTSLCTSSCTSK
SCHEMBL9227005 0.82 MMP2 (0.44) MMP2MMP3CTSSCTSKEGLN2
SCHEMBL8771875 0.80 MMP2 (0.49) MMP2MMP3CTSLCTSSCTSK
SCHEMBL9228630 0.77 MMP2 (0.45) MMP2MMP3
SCHEMBL8605260 0.77 CTSS (0.52) MMP2MMP3CTSLCTSSCTSK
SCHEMBL8772014 0.75 CTSK (0.53) MMP2MMP3CTSLCTSSCTSK
SCHEMBL9225695 0.73 MGLL (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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