SCHEMBL11057901

SCHEMBL11057901

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.58
CTSB P07858 4/20 0.58
CTSS P25774 1/20 0.58
CTSK P43235 1/20 0.58
TACR1 P25103 2/20 0.56
CAPN1 P07384 2/20 0.54
CASP1 P29466 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
CASP3 P42574 1/20 0.54
CASP7 P55210 1/20 0.54

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
SCHEMBL29480462 0.93 CTSL (0.66) CTSLCTSBCTSSCTSKTACR1
SCHEMBL11059104 0.93 CTSL (0.57) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL27395816 0.91 ALDH1A1 (0.62) CTSLCTSBCTSSCTSKTACR1
SCHEMBL240653 0.91 ALDH1A1 (0.62) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9301372 0.91 ALDH1A1 (0.62) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9402445 0.91 ALDH1A1 (0.62) CTSLCTSBCTSSCTSKTACR1
SCHEMBL6440666 0.90 CTSL (0.64) CTSLCTSBCTSSCTSKTACR1
SCHEMBL6440663 0.90 CTSL (0.64) CTSLCTSBCTSSCTSKTACR1
SCHEMBL10335371 0.90 CTSL (0.58) CTSLCTSBCASP1CASP3CASP7
SCHEMBL6261373 0.89 CASP1 (0.62) CTSKCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55073644-A None JP disclosed
US-4487717-A PHASE SEPARATION USING ORGANIC SOLVENT TOYO SODA MANUFACTURING CO., LTD. (JP) 1984-12-11 US disclosed
US-4436925-A Addition compound of dipeptide derivative and amino acid derivative TOYO SODA MANUFACTURING CO., LTD. (JP) 1984-03-13 US disclosed
EP-0075160-A2 Process for recovering a dipeptide derivative TOYO SODA MANUFACTURING CO., LTD. (JP) 1983-03-30 EP 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
JP-S5573644-A ADDITION COMPOUND OF DIPEPTIDE ESTER WITH AMINO ACID ESTER TOYO SODA MFG CO LTD 1980-06-03 JP disclosed
US-4165311-A Addition compound of dipeptide derivative and amino acid derivative TOYO SODA MANUFACTURING CO. LTD. (JP) 1979-08-21 US disclosed
JP-S05573644-A 0001-01-01 JP disclosed