SCHEMBL8771875

SCHEMBL8771875

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.49
MMP3 P08254 2/20 0.49
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ACACB O00763 4/20 0.39

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
SCHEMBL8772003 0.86 MMP2 (0.48) MMP2MMP3ALDH1A1MAPTHPGD
SCHEMBL8771759 0.82 MMP2 (0.51) MMP2MMP3ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL8771786 0.81 MMP2 (0.50) MMP2MMP3ALDH1A1MAPTHPGD
SCHEMBL9230213 0.80 MMP2 (0.45) MMP2MMP3CTSLCTSBCTSS
SCHEMBL9220783 0.79 MMP2 (0.44) MMP2MMP3CTSLCTSBCTSS
SCHEMBL8772038 0.79 MMP2 (0.48) MMP2MMP3ALDH1A1MAPTHPGD
SCHEMBL8771886 0.78 SCN9A (0.59) MMP2MMP3ACACB
SCHEMBL13574424 0.77 MMP2 (0.63) MMP2MMP3ALDH1A1MAPTHPGD
SCHEMBL8771983 0.74 CTSL (0.55) MMP2MMP3CTSLCTSBCTSS
SCHEMBL5685768 0.74 CTSK (0.53) CTSLCTSBCTSSCTSKALDH1A1

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