SCHEMBL8771769

SCHEMBL8771769

CC(COc1ccc(C#N)cc1)NC(=O)[C@@H](NC(=O)OC1CCCCC1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.43
MMP3 P08254 1/20 0.43
ACACB O00763 4/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
PTGER4 P35408 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 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
SCHEMBL8771762 0.90 MMP2 (0.40) MMP2MMP3ACACB
SCHEMBL8771801 0.87 MMP2 (0.41) MMP2MMP3ACACBALDH1A1PTGER4
SCHEMBL9228051 0.85 MMP2 (0.43) MMP2MMP3ACACBTSHRPTGER4
SCHEMBL8607244 0.81 EPHX1 (0.44) ALDH1A1TSHR
SCHEMBL8771770 0.81 MMP2 (0.46) MMP2MMP3
SCHEMBL8772014 0.80 CTSK (0.53) MMP2MMP3CTSLCTSSCTSK
SCHEMBL8771906 0.79 MTNR1A (0.50) MMP2MMP3
SCHEMBL8771923 0.79 MMP2 (0.46) MMP2MMP3ACACBALDH1A1
SCHEMBL8771775 0.78 MMP2 (0.46) MMP2MMP3ACACBALDH1A1
SCHEMBL8772021 0.78 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