SCHEMBL8771759

SCHEMBL8771759

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.51
MMP3 P08254 3/20 0.51
MMP13 P45452 2/20 0.43
ADAMTS4 O75173 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
HPGD P15428 1/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 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
Hydrochloric Acid SCHEMBL8771786 0.99 MMP2 (0.50) MMP2MMP3MMP13ADAMTS4ALDH1A1
SCHEMBL8772038 0.89 MMP2 (0.48) MMP2MMP3ALDH1A1MAPTPARP15
SCHEMBL8771875 0.82 MMP2 (0.49) MMP2MMP3ALDH1A1MAPTPARP15
SCHEMBL8772003 0.81 MMP2 (0.48) MMP2MMP3ALDH1A1MAPTPARP15
SCHEMBL9230030 0.79 MMP2 (0.46) MMP2MMP3MMP13ADAMTS4ALDH1A1
SCHEMBL13574424 0.79 MMP2 (0.63) MMP2MMP3MMP13ALDH1A1MAPT
SCHEMBL9229887 0.78 MMP2 (0.46) MMP2MMP3MMP13ADAMTS4ALDH1A1
SCHEMBL9229183 0.78 MMP2 (0.46) MMP2MMP3MMP13ADAMTS4MTNR1A
SCHEMBL9229176 0.77 MMP2 (0.45) MMP2MMP3MMP13ADAMTS4ALDH1A1
SCHEMBL9228630 0.77 MMP2 (0.45) MMP2MMP3MMP13ADAMTS4ALDH1A1

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