SCHEMBL4961735

SCHEMBL4961735

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.60
▸ ERAP2 Q6P179 7/20 0.57
▸ IL1RN P18510 2/20 0.57
▸ LNPEP Q9UIQ6 7/20 0.54
▸ MDM4 O15151 1/20 0.54
▸ MDM2 Q00987 1/20 0.54
▸ ERAP1 Q9NZ08 5/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPY4R P50391 2/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ OPRK1 P41145 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ ESR2 Q92731 1/20 0.48

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
SCHEMBL27183038 1.00 TSHR (0.60) TSHRERAP2IL1RNLNPEPMDM4
SCHEMBL8214204 1.00 TSHR (0.60) TSHRERAP2IL1RNLNPEPMDM4
Hydrochloric Acid SCHEMBL11693250 0.99 TSHR (0.59) TSHRERAP2IL1RNLNPEPMDM4
SCHEMBL11759443 0.90 TSHR (0.49) TSHRERAP2IL1RNLNPEPMDM4
Aspartame SCHEMBL28591 0.90 ALDH1A1 (0.64) TSHRALDH1A1THRBCYP2C9CYP2C19
Aspartame SCHEMBL11085391 0.90 ALDH1A1 (0.64) TSHRALDH1A1THRBCYP2C9CYP2C19
Aspartame SCHEMBL900809 0.90 ALDH1A1 (0.64) TSHRALDH1A1THRBCYP2C9CYP2C19
Aspartame SCHEMBL3637 0.90 ALDH1A1 (0.64) TSHRALDH1A1THRBCYP2C9CYP2C19
Aspartame SCHEMBL8761655 0.90 ALDH1A1 (0.64) TSHRALDH1A1THRBCYP2C9CYP2C19
Aspartame SCHEMBL8091203 0.90 ALDH1A1 (0.64) TSHRALDH1A1THRBCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512435-B1 Method of crystallizing aspartame AJINOMOTO KK (JP) 1997-01-22 — — EP claimed
US-5298648-A Method of crystallizing aspartame AJINOMOTO CO., INC. (JP) 1994-03-29 — — US claimed
EP-0046270-A1 Novel derivatives of bio-affecting phenolic compounds and pharmaceutical composition containing them INTERx RESEARCH CORPORATION (US) 1982-02-24 — — EP claimed
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-0512435-B1 Method of crystallizing aspartame AJINOMOTO KK (JP) 1997-01-22 — — EP disclosed
US-5298648-A Method of crystallizing aspartame AJINOMOTO CO., INC. (JP) 1994-03-29 — — US disclosed
EP-0512435-A1 Method of crystallizing aspartame Ajinomoto Co., Inc. (JP) 1992-11-11 — — EP disclosed
US-5001115-A Prodrugs of biologically active hydroxyaromatic compounds UNIVERSITY OF FLORIDA (US) 1991-03-19 — — US disclosed
US-4731412-A Process and composition for amino-terminal, α-aspartyl and α-glutamyl dipeptide esters THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) 1988-03-15 — — US disclosed
US-4600532-A Process and composition for amino-terminal, α-aspartyl and α-glutamyl dipeptides and dipeptide esters THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) 1986-07-15 — — US disclosed
EP-0046270-A1 Novel derivatives of bio-affecting phenolic compounds and pharmaceutical composition containing them INTERx RESEARCH CORPORATION (US) 1982-02-24 — — EP disclosed
US-4017472-A Process for isolation of aspartyl dipeptide esters G. D. SEARLE & CO. (US) 1977-04-12 — — US disclosed
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