SCHEMBL11059104

SCHEMBL11059104

CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccc(OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.57
CTSS P25774 3/20 0.57
CTSK P43235 3/20 0.57
HDAC8 Q9BY41 1/20 0.55
F2 P00734 1/20 0.55
ATM Q13315 1/20 0.52
CTSB P07858 1/20 0.51
CASP3 P42574 2/20 0.51
CASP7 P55210 2/20 0.51
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
CAPN1 P07384 1/20 0.50
MMP1 P03956 3/20 0.49
CASP1 P29466 1/20 0.49
CASP4 P49662 1/20 0.49
CASP9 P55211 1/20 0.49
CASP8 Q14790 1/20 0.49
CASP10 Q92851 1/20 0.49

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
SCHEMBL11059021 0.93 CTSL (0.60) CTSLCTSSCTSKHDAC8F2
SCHEMBL11057901 0.93 CTSL (0.58) CTSLCTSSCTSKCTSBCASP3
SCHEMBL14370509 0.92 ATM (0.60) CTSLCTSSCTSKHDAC8F2
SCHEMBL11059108 0.91 CTSL (0.60) CTSLCTSSCTSKHDAC8F2
SCHEMBL11074400 0.89 CTSL (0.54) CTSLCTSSCTSKHDAC8F2
SCHEMBL240653 0.86 ALDH1A1 (0.62) CTSLCTSSCTSKCTSBCASP3
SCHEMBL27395816 0.86 ALDH1A1 (0.62) CTSLCTSSCTSKCTSBCASP3
SCHEMBL9402445 0.86 ALDH1A1 (0.62) CTSLCTSSCTSKCTSBCASP3
SCHEMBL9301372 0.86 ALDH1A1 (0.62) CTSLCTSSCTSKCTSBCASP3
SCHEMBL29480462 0.86 CTSL (0.66) CTSLCTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4436925-A Addition compound of dipeptide derivative and amino acid derivative TOYO SODA MANUFACTURING CO., LTD. (JP) 1984-03-13 US disclosed
US-4256836-A REACTING AN N-SUBSTITUTED MONOAMINODICARBOXYLIC ACID WITH AN AMINO CARBOXYLIC ACID ESTER TOYO SODA MANUFACTURING CO. LTD. (JP) 1981-03-17 US disclosed
US-4165311-A Addition compound of dipeptide derivative and amino acid derivative TOYO SODA MANUFACTURING CO. LTD. (JP) 1979-08-21 US disclosed