SCHEMBL8085158

SCHEMBL8085158

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.60
ITGA2B P08514 6/20 0.60
TACR1 P25103 2/20 0.60
CTSL P07711 1/20 0.58
CTSB P07858 1/20 0.58
CTSS P25774 1/20 0.58
CTSK P43235 1/20 0.58
TYR P14679 1/20 0.58
ALDH1A1 P00352 1/20 0.57
ALOX15 P16050 1/20 0.57
CTRB1 P17538 2/20 0.56
MME P08473 1/20 0.56
ECE1 P42892 1/20 0.56
ACE P12821 1/20 0.55

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
SCHEMBL10591024 0.92 ALDH1A1 (0.62) TACR1CTSLCTSBCTSSCTSK
SCHEMBL8089485 0.92 ALDH1A1 (0.62) TACR1CTSLCTSBCTSSCTSK
SCHEMBL479010 0.92 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL26661077 0.92 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL220648 0.92 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL219151 0.92 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL7372270 0.92 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
Hypochlorous Acid SCHEMBL7368156 0.89 TACR1 (0.65) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL7399079 0.88 ITGB3 (0.64) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL7399084 0.88 ITGB3 (0.64) ITGB3ITGA2BTACR1CTSLCTSB

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
EP-0510552-B2 Preparation process of alpha-aspartyl-L-phenylalanine methyl ester MITSUI TOATSU CHEMICALS (JP) 2000-11-15 EP claimed
JP-3038580-A None JP disclosed
JP-H0338580-A PRODUCTION OF N-CARBOBENZOXY-L-ASPARTIC ACID ANHYDRIDE MITSUI TOATSU CHEM INC 1991-02-19 JP disclosed
US-4789758-A Process for the production of an N-protected-L-α-aspartyl-L-phenylalanine AJINOMOTO CO., INC. (JP) 1988-12-06 US disclosed
US-4740616-A Process for the production of an N-protected-L-α-aspartyl-L-phenylalanine AJINOMOTO CO., INC. (JP) 1988-04-26 US disclosed
US-4564471-A N-/BENZYLOXYCARBONYL/ASPARTYLPHENYLALANINE AJINOMOTO CO., INC. (JP) 1986-01-14 US disclosed
EP-0027319-B1 METHOD FOR REDUCTIVE ELIMINATION OF PROTECTING GROUPS AND PREPARATIVE PROCESS USING SUCH METHOD AJINOMOTO CO., INC. (JP) 1982-08-11 EP disclosed
EP-0027319-A2 Method for reductive elimination of protecting groups and preparative process using such method AJINOMOTO CO., INC. (JP) 1981-04-22 EP disclosed