SCHEMBL4960993

SCHEMBL4960993

COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.44
MMP2 P08253 6/20 0.44
MMP3 P08254 6/20 0.44
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
CPB2 Q96IY4 6/20 0.41
LTA4H P09960 2/20 0.40
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
KLKB1 P03952 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL27182937 1.00 MMP1 (0.44) MMP1MMP2MMP3CTSSCTSK
SCHEMBL9146946 0.86 LTA4H (0.50) MMP1MMP2MMP3CPB2LTA4H
SCHEMBL9146938 0.86 LTA4H (0.50) MMP1MMP2MMP3CPB2LTA4H
SCHEMBL7205806 0.85 MMP1 (0.58) MMP1MMP2MMP3CTSSCTSK
Hydrochloric Acid SCHEMBL7205132 0.83 MMP1 (0.57) MMP1MMP2MMP3CTSSCTSK
SCHEMBL7204995 0.83 MMP2 (0.50) MMP1MMP2MMP3CTSSCTSK
Hydrochloric Acid SCHEMBL7205141 0.82 MMP2 (0.49) MMP1MMP2MMP3CTSSCTSK
SCHEMBL10793999 0.82 CASP3 (0.34) MMP1MMP2MMP3ITGB3ITGA2B
SCHEMBL10787451 0.82 CASP3 (0.34) MMP1MMP2MMP3ITGB3ITGA2B
SCHEMBL25523633 0.81 CTSK (0.45) CTSSCTSKCPB2LTA4HCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114828-B1 N-ALKYLASPARTYLDIPEPTIDE ESTER DERIVATIVES AND SWEETENERS AJINOMOTO KK (JP) 2008-03-12 EP disclosed
EP-1114828-A1 N-ALKYLASPARTYLDIPEPTIDE ESTER DERIVATIVES AND SWEETENERS Ajinomoto Co., Inc. (JP) 2001-07-11 EP disclosed
EP-0759030-B1 N- N-(3,3-DIMETHYLBUTYL)-L-$g(a)-ASPARTYL]-L-HEXAHYDROPHENYLALANINE 1-METHYL ESTER USEFUL AS A SWEETENING AGENT AND METHOD OF PREPARATION NOFRE CLAUDE (FR) 1998-09-09 EP disclosed
US-5773640-A N- N-(3,3-dimethylbutyl)-L-A-aspartyl!-L-hexahydrophenylalanine 1-methyl ester useful as a sweetening agent, its method of preparation NOFRE CLAUDE (FR) 1998-06-30 US disclosed
US-4371464-A Dipeptide sweetener STAMICARBON, B.V. (NL) 1983-02-01 US disclosed
EP-0048051-A1 Dipeptide sweetener STAMICARBON B.V. (NL) 1982-03-24 EP disclosed
US-4170635-A DIPEPTIDE SWEETENER, ANHYDRIDE COLGATE PALMOLIVE COMPANY (US) 1979-10-09 US disclosed
US-4071615-A DIPEPTIDE SWEETENER COLGATE PALMOLIVE COMPANY (US) 1978-01-31 US disclosed
US-3939261-A DIPEPTIDE SWEETENER, ACID ANHYDRIDE COLGATE-PALMOLIVE COMPANY (US) 1976-02-17 US disclosed