SCHEMBL8771775

SCHEMBL8771775

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.46
MMP3 P08254 2/20 0.46
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
HPGD P15428 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 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
SCHEMBL8772021 0.85 MMP2 (0.46) MMP2MMP3MTNR1AMTNR1BADAMTS4
SCHEMBL9225431 0.84 MMP2 (0.45) MMP2MMP3ALDH1A1MAPTADAMTS4
SCHEMBL8771821 0.83 MMP2 (0.46) MMP2MMP3MTNR1AMTNR1BALDH1A1
SCHEMBL8772014 0.83 CTSK (0.53) MMP2MMP3
SCHEMBL8772049 0.82 ADAMTS4 (0.44) MMP2MMP3ALDH1A1ADAMTS4MMP13
SCHEMBL8771906 0.82 MTNR1A (0.50) MMP2MMP3MTNR1AMTNR1B
SCHEMBL8771923 0.82 MMP2 (0.46) MMP2MMP3MTNR1AMTNR1BALDH1A1
SCHEMBL8772000 0.81 MMP2 (0.46) MMP2MMP3MTNR1AMTNR1B
SCHEMBL8771770 0.81 MMP2 (0.46) MMP2MMP3
SCHEMBL8771799 0.79 MMP2 (0.44) MMP2MMP3MTNR1AMTNR1BADAMTS4

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