SCHEMBL8069875

SCHEMBL8069875

CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)c1cc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.52
CA1 P00915 1/20 0.48
CTSD P07339 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CTSB P07858 5/20 0.47
CTSS P25774 4/20 0.47
CTSL P07711 4/20 0.47
CTSK P43235 4/20 0.47
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL19557810 0.78 CASP3 (0.61) CASP3CA1CTSDCA2CA5A
SCHEMBL10453618 0.78 CASP3 (0.61) CASP3CA1CTSDCA2CA5A
SCHEMBL6272667 0.77 ECE1 (0.64) CASP3CA1CTSDCA2CA5A
SCHEMBL7378851 0.77 ECE1 (0.64) CASP3CA1CTSDCA2CA5A
SCHEMBL19807625 0.76 CASP3 (0.59) CASP3CA1CTSDCA2CA5A
SCHEMBL12588645 0.76 CASP3 (0.59) CASP3CA1CTSDCA2CA5A
SCHEMBL951587 0.76 MME (0.60) CASP3CTSDCA2CA5ACTSB
SCHEMBL9829372 0.76 MME (0.60) CASP3CTSDCA2CA5ACTSB
SCHEMBL12588646 0.76 CASP3 (0.59) CASP3CA1CTSDCA2CA5A
SCHEMBL13888699 0.76 CASP3 (0.59) CASP3CA1CTSDCA2CA5A

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-0775696-B1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-07-19 EP disclosed
EP-0775696-A1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KumaiI Chemical Industry Co., Ltd. (JP) 1997-05-28 EP disclosed