SCHEMBL7425592

SCHEMBL7425592

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.67
CTSL P07711 3/20 0.54
CTSS P25774 2/20 0.54
TRPM8 Q7Z2W7 1/20 0.54
ECE1 P42892 3/20 0.53
MME P08473 3/20 0.53
CASP3 P42574 2/20 0.53
REN P00797 2/20 0.53
CTSB P07858 2/20 0.51
CTSK P43235 2/20 0.51
CA2 P00918 1/20 0.51
CA5A P35218 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
CASP9 P55211 1/20 0.51
CASP6 P55212 1/20 0.51
CASP8 Q14790 1/20 0.51

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
SCHEMBL8769487 0.92 CTSD (0.66) CTSDCTSLCTSSTRPM8ECE1
SCHEMBL6132144 0.91 CTSD (0.76) CTSDCTSLCTSSTRPM8ECE1
SCHEMBL6446151 0.91 CTSD (0.76) CTSDCTSLCTSSTRPM8ECE1
SCHEMBL6446780 0.91 CTSD (0.76) CTSDCTSLCTSSTRPM8ECE1
SCHEMBL9740721 0.91 CTSD (0.76) CTSDCTSLCTSSTRPM8ECE1
SCHEMBL9232828 0.91 CTSD (0.76) CTSDCTSLCTSSTRPM8ECE1
SCHEMBL6449641 0.91 CTSD (0.76) CTSDCTSLCTSSTRPM8ECE1
SCHEMBL6445103 0.91 CTSD (0.76) CTSDCTSLCTSSTRPM8ECE1
SCHEMBL8769526 0.90 CTSL (0.63) CTSDCTSLCTSSTRPM8ECE1
Acetic Acid SCHEMBL7270658 0.88 CTSD (0.73) CTSDCTSLCTSSTRPM8ECE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed