SCHEMBL126762

SCHEMBL126762

O=C(O)C(=O)C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.60
ALOX15 P16050 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
ECE1 P42892 5/20 0.55
ITGB2 P05107 2/20 0.55
ICAM1 P05362 2/20 0.55
ITGAL P20701 2/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
KDM4E B2RXH2 1/20 0.54
APAF1 O14727 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL30428900 0.83 ALOX15 (0.58) ACEALOX15SMN1; SMN2ECE1ITGB2
SCHEMBL27916352 0.82 ALOX15 (0.62) ACEALOX15SMN1; SMN2ECE1ITGB2
SCHEMBL19737124 0.81 ACE (0.70) ACEALOX15SMN1; SMN2ECE1ITGB2
SCHEMBL1263833 0.81 KDM4E (0.72) ACEALOX15SMN1; SMN2ECE1ITGB2
SCHEMBL1263822 0.81 KDM4E (0.72) ACEALOX15SMN1; SMN2ECE1ITGB2
SCHEMBL16750046 0.81 ACE (0.70) ACEALOX15SMN1; SMN2ECE1ITGB2
SCHEMBL28982976 0.81 ALOX15 (0.64) ACEALOX15SMN1; SMN2ECE1ITGB2
SCHEMBL15592745 0.81 ACE (0.70) ACEALOX15SMN1; SMN2ECE1ITGB2
SCHEMBL30782236 0.81 ALOX15 (0.70) ACEALOX15SMN1; SMN2ECE1ITGB2
SCHEMBL8254531 0.80 ACE (0.68) ACEALOX15SMN1; SMN2ECE1ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089529-B1 PRODUCTION OF STEREOISOMERS OF MONATIN VIA D-TRYPTOPHAN CARGILL INC (US) 2019-03-20 EP disclosed
US-9719079-B2 Aldolases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-08-01 US disclosed
EP-3168299-A2 POLYPEPTIDES AND BIOSYNTHETIC PATHWAYS FOR THE PRODUCTION OF STEREOISOMERS OF MONATIN AND THEIR PRECURSORS Cargill, Incorporated (US) 2017-05-17 EP disclosed
EP-3153580-A2 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF Enzymes LLC (US) 2017-04-12 EP disclosed
US-9518280-B2 Aldolases, nucleic acids encoding them and methods for making and using them CARGILL, INCORPORATED (US) 2016-12-13 US disclosed
EP-2385108-B1 Aldolases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-11-23 EP disclosed
US-20160251643-A1 Aldolases, Nucleic Acids Encoding Them and Methods for Making and Using Them VERENIUM CORPORATION 2016-09-01 US disclosed
EP-2354240-B1 Polypeptides and biosynthetic pathways CARGILL INC (US) 2016-07-06 EP disclosed
EP-2361976-B1 Polypeptides and biosynthetic pathways for the production of stereoisomers of monatin and their precursors CARGILL INC (US) 2016-05-25 EP disclosed
US-9290755-B2 Aldolases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-03-22 US disclosed
US-20050170041-A1 Chewing gum compositions comprising monatin and methods for making same CARGILL, INC. 2005-08-04 US disclosed
US-20050112260-A1 Monatin tabletop sweetener compositions and methods of making same CARGILL, INC. 2005-05-26 US disclosed
US-20050106305-A1 Beverage compositions comprising monatin and methods of making same CARGILL, INC. 2005-05-19 US disclosed
WO-2005042756-A2 PRODUCTION OF MONATIN AND MONATIN PRECURSORS CARGILL, INCORPORATED (US) 2005-05-12 WO disclosed
WO-2005020721-A1 BEVERAGE COMPOSITIONS COMPRISING MONATIN AND METHODS OF MAKING SAME CARGILL, INCORPORATED (US) 2005-03-10 WO disclosed
WO-2005016022-A1 CHEWING GUM COMPOSITIONS COMPRISING MONATIN AND METHODS OF MAKING SAME CARGILL, INCORPORATED (US) 2005-02-24 WO disclosed
WO-2005014839-A2 MONATIN TABLETOP SWEETENER COMPOSITIONS AND METHODS OF MAKING SAME CARGILL, INCORPORATED (US) 2005-02-17 WO disclosed
EP-1503985-A2 POLYPEPTIDES AND BIOSYNTHETIC PATHWAYS Cargill, Incorporated (US) 2005-02-09 EP disclosed
US-20040063175-A1 Polypeptides and biosynthetic pathways CARGILL, INCORPORATED 2004-04-01 US disclosed
WO-2003091396-A2 POLYPEPTIDES AND BIOSYNTHETIC PATHWAYS CARGILL, INCORPORATED (US) 2003-11-06 WO disclosed