SCHEMBL8214893

SCHEMBL8214893

COC(=O)[C@@H](N)Cc1ccc(C(=O)[C@@H](N)CC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TPH1 P17752 1/20 0.41
SLC7A5 Q01650 4/20 0.41
LTA4H P09960 1/20 0.40
LNPEP Q9UIQ6 5/20 0.39
ERAP2 Q6P179 3/20 0.39
ERAP1 Q9NZ08 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
PTGS2 P35354 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 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
SCHEMBL10603647 0.84 SLC7A5 (0.59) ALDH1A1SLC7A5
SCHEMBL11020769 0.83 LNPEP (0.41) ALDH1A1LNPEPERAP2ERAP1
SCHEMBL11010339 0.83 LNPEP (0.41) ALDH1A1LNPEPERAP2ERAP1
SCHEMBL2059174 0.83 ANPEP (0.54) ALDH1A1TPH1SLC7A5LTA4HLNPEP
SCHEMBL2059172 0.83 ANPEP (0.54) ALDH1A1TPH1SLC7A5LTA4HLNPEP
SCHEMBL8844863 0.82 SLC7A5 (0.57) ALDH1A1TPH1SLC7A5ALPIPKM
Acetic Acid SCHEMBL7292963 0.82 ANPEP (0.53) ALDH1A1TPH1SLC7A5LTA4HLNPEP
SCHEMBL11235526 0.82 TAAR1 (0.49)
Hydrochloric Acid SCHEMBL7395456 0.82 ANPEP (0.53) ALDH1A1TPH1SLC7A5LTA4HLNPEP
Hydrochloric Acid SCHEMBL7395458 0.82 ANPEP (0.53) ALDH1A1TPH1SLC7A5LTA4HLNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6015792-A Specific eatable taste modifiers BIORESEARCH, INC. (US) 2000-01-18 US disclosed
US-6008250-A Specific eatable taste modifiers BIORESEARCH, INC. (US) 1999-12-28 US disclosed
EP-0149263-A2 Process for preparing alpha-L-aspartyl-L-phenylalanine methyl ester DE-BI DERIVATI BIOLOGICI INTERNATIONAL S.p.A. (IT) 1985-07-24 EP disclosed
EP-0132856-A2 Process for preparing alpha-L-aspartyl-L-phenylalanine methyl ester DE-BI DERIVATI BIOLOGICI INTERNATIONAL S.p.A. (IT) 1985-02-13 EP disclosed