SCHEMBL8771801

SCHEMBL8771801

CC(COc1ccc(C#N)cc1)NC(=O)[C@@H](NC(=O)OC1CCCCC1Cl)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.41
MMP3 P08254 2/20 0.41
PTGER4 P35408 2/20 0.36
ACACB O00763 1/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
KMT2A Q03164 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL8771769 0.87 MMP2 (0.43) MMP2MMP3PTGER4ACACBALDH1A1
SCHEMBL9225725 0.86 MMP2 (0.41) MMP2MMP3PTGER4ACACBMEN1
SCHEMBL8771762 0.81 MMP2 (0.40) MMP2MMP3ACACBMEN1KMT2A
SCHEMBL8771775 0.78 MMP2 (0.46) MMP2MMP3ACACBALDH1A1ADAMTS4
SCHEMBL8772014 0.78 CTSK (0.53) MMP2MMP3
SCHEMBL8771923 0.77 MMP2 (0.46) MMP2MMP3ACACBALDH1A1ADAMTS4
SCHEMBL8771906 0.77 MTNR1A (0.50) MMP2MMP3MTNR1AMTNR1B
SCHEMBL8772021 0.76 MMP2 (0.46) MMP2MMP3ADAMTS4MMP13MTNR1A
SCHEMBL8772000 0.76 MMP2 (0.46) MMP2MMP3MTNR1AMTNR1B
SCHEMBL8771770 0.76 MMP2 (0.46) 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