SCHEMBL7101568

SCHEMBL7101568

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
ALDH1A1 P00352 1/20 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
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.49
OPRK1 P41145 1/20 0.48
TACR1 P25103 1/20 0.48
HPRT1 P00492 1/20 0.47
CTSC P53634 1/20 0.47
BIRC2 Q13490 1/20 0.47
MMP2 P08253 3/20 0.46
MMP1 P03956 1/20 0.46

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
SCHEMBL10752313 0.91 ALDH1A1 (0.50) MMP8ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL10752317 0.91 ALDH1A1 (0.50) MMP8ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL29480449 0.91 OPRK1 (0.57) MMP8ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL11759443 0.90 TSHR (0.49) OPRK1
SCHEMBL7100171 0.90 ALDH1A1 (0.49) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL10635593 0.90 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL3637 0.90 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL8091203 0.90 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL8761655 0.90 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL10625481 0.90 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874609-A BUNDLE-TYPE CRYSTAL HAVING DIFFRACTION LINES 2 THETA=12.0 DEGREE, 15.1 DEGREE, 18.5 DEGREE AND 21.5 DEGREE AJINOMOTO COMPANY INCORPORATED (JP) 1999-02-23 US claimed
US-5639788-A Specific eatable taste modifiers BIORESEARCH INC. (US) 1997-06-17 US claimed
US-5631295-A 2-(4-METHOXYPHENOXY)PROPIONIC ACID, TAURINE, ASPARTYLPHENYL ALANINE, ASPARTYLTYROSINE AND DIHYDROXYBENZOIC ACID BIORESEARCH, INC. (US) 1997-05-20 US claimed
US-4506011-A CULTURES, PSEUDOMONAS, ALCALIGENES, TORULOPSIS, RHODOTORULA, SPOROBOLOMYCES TOYO SODA MANUFACTURING CO., LTD. (JP) 1985-03-19 US claimed
EP-0053844-B1 A DIPEPTIDE SWEETENING COMPOSITION AJINOMOTO CO., INC. (JP) 1984-12-12 EP claimed
US-4465694-A Dipeptide sweetening composition AJINOMOTO COMPANY, INCORPORATED (JP) 1984-08-14 US claimed
EP-0074095-A1 Process for preparation of aspartylphenylalanine alkyl esters TOYO SODA MANUFACTURING CO., LTD. (JP) 1983-03-16 EP claimed
EP-0053844-A1 A dipeptide sweetening composition AJINOMOTO CO., INC. (JP) 1982-06-16 EP claimed
EP-0941671-B1 Taste agent from Saccharum Officinarum, process for preparing it, products containing it INT FLAVORS & FRAGRANCES INC (US) 2015-09-09 EP disclosed
WO-2003096999-A1 IMPROVEMENTS IN OR RELATING TO ORAL CHLORHEXIDINE FORMULATIONS GUY'S & ST THOMAS' HOSPITAL NHS TRUST (GB) 2003-11-27 WO disclosed
US-6251463-B1 ADDING TO CONSUMABLE MATERIAL AN AROMA OR TASTE AUGMENTING, ENHANCING OR IMPARTING QUANTITY AND CONCENTRATION OF A NATURAL TASTAND PRODUCT COMPRISING STEAM DISTILLED SACCHARUM OFFICINARUM LEAVES, OR MACERATES THEREOF INTERNATIONAL FLAVORS & FRAGRANCES INC. 2001-06-26 US disclosed
US-6251193-B1 CALCIUM SUPPLEMENT AND ORAL CARE BASES HAVING INTIMATELY ADMIXED THEREWITH AN AROMA AND TASTE AUGMENTING, ENHANCING OR IMPARTING QUANTITY. INTERNATIONAL FLAVORS & FRAGRANCES INC. 2001-06-26 US disclosed
US-6245376-B1 ADDING DAMASCENONE AND ALCOHOL TO ASPARTAME INTERNATIONAL FLAVORS & FRAGRANCES INC. 2001-06-12 US disclosed
US-6242029-B1 PRESSURIZATION TO FORM PLANT EXTRACT INTERNATIONAL FLAVORS & FRAGRANCES INC. 2001-06-05 US disclosed
EP-0053844-A1 A dipeptide sweetening composition AJINOMOTO CO., INC. (JP) 1982-06-16 EP disclosed
US-4293648-A Process for esterification of α-L-aspartyl-L-phenylalanine G. D. SEARLE & CO. (US) 1981-10-06 US 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
US-4246286-A PH BETWEEN 5 AND 7; ASPARTYL-PHENYLALANINE METHYL ESTER GENERAL FOODS CORPORATION (US) 1981-01-20 US disclosed
US-4165311-A Addition compound of dipeptide derivative and amino acid derivative TOYO SODA MANUFACTURING CO. LTD. (JP) 1979-08-21 US disclosed
US-4021418-A Method of removing formyl groups from N-formyl-amino acid and N-formyl-peptide esters AJINOMOTO CO., INC. (JA) 1977-05-03 US disclosed