SCHEMBL7140993

SCHEMBL7140993

O=C(O)CN1CCN(CC(=O)O)C(=O)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
ACE P12821 2/20 0.40
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 2/20 0.37
SLC6A9 P48067 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL273928 0.98 HSD17B10 (0.42) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL30875935 0.84 ITGB3 (0.43) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL7139127 0.84 CYP2D6 (0.37) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL8019441 0.84 HSD17B10 (0.34) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL3489028 0.81 S1PR1 (0.41) POLBHSD17B10TSHRKDM4EALDH1A1
SCHEMBL23291436 0.80 CYP2D6 (0.63) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL23291471 0.80 KMT2A (0.63) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL30875932 0.79 PTGS1 (0.41) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL30875934 0.79 PTGS1 (0.41) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL2544936 0.78 PIK3CD (0.55) POLBKMT2AHSD17B10TSHRSLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6503873-B1 Shampooing hair or cleaning skin by applying N-acyl ethylenediaminetriacetic acid or salt HAMPSHIRE CHEMICAL CORP 2003-01-07 US disclosed
EP-0942913-A4 ETHYLENEDIAMINETRIACETIC ACID AND N-ACYL ETHYLENEDIAMINETRIACETIC ACID SILVER CHELACTANTS HAMPSHIRE CHEMICAL CORP (US) 2002-03-20 EP disclosed
CN-1279660-A Plant micronutrient chelating surfactant compounds HAMPSHIRE CHEMICAL COUP (US) 2001-01-10 CN disclosed
EP-0906393-A4 ULTRA MILD DETERGENT COMPOSITIONS HAMPSHIRE CHEMICAL CORP (US) 2000-10-25 EP disclosed
EP-1042253-A1 PLANT MICRONUTRIENT CHELATING SURFACTANT COMPOUNDS HAMPSHIRE CHEMICAL CORPORATION (US) 2000-10-11 EP disclosed
EP-0914411-A4 N-ACYL ETHYLENEDIAMINETRIACETIC ACID SURFACTANTS AS ENZYME COMPATIBLE SURFACTANTS, STABILIZERS AND ACTIVATORS HAMPSHIRE CHEMICAL CORP (US) 2000-06-07 EP disclosed
US-6057277-A AMYLASE AND LIPASE ENZYMES AND AS THE COMPATIBLE CHELATING SURFACTANT, SALTS OF N-ACYL ETHYLENEDIAMINETRIACETIC ACID WHICH ARE HIGHLY COMPATIBLE WITH SUCH ENZYMES TO INCREASE DETERGENT EFFECTIVENESS HAMPSHIRE CHEMICAL CORP. (US) 2000-05-02 US disclosed
EP-0740015-B1 Ethylenediaminetriacetic acid and salts thereof as chelating agents in pulp bleaching HAMPSHIRE CHEMICAL CORP (US) 2000-01-26 EP disclosed
CN-1237975-A Ethylenediaminetriacetic acid and N-acyl ethylenediaminetriacetic acid silver chelating agents HAMPSHIRE CHEMICAL CORP (US) 1999-12-08 CN disclosed
US-5993504-A N-ACYLDIAMINETRIACETIC ACID OR SALTS THEREOF. THE DERIVATIVES CHELATE VARIOUS TRACE METALS, INCLUDING IRON, COPPER, ZINC, MANGANESE, COBALT AND NICKEL. HAMPSHIRE CHEMICAL CORP. (US) 1999-11-30 US disclosed
EP-0546867-A2 Preparation of ethylenediaminetriacetic acid HAMPSHIRE CHEMICAL CORP. (US) 1993-06-16 EP disclosed
EP-0546867-A2 Preparation of ethylenediaminetriacetic acid HAMPSHIRE CHEMICAL CORP. (US) 1993-06-16 EP disclosed
EP-0546866-A2 Ethylenediamine-N,N'-diacetic acid-N'-cyanomethyl, salts thereof, and their preparation HAMPSHIRE CHEMICAL CORP. (US) 1993-06-16 EP disclosed
EP-0546866-A2 Ethylenediamine-N,N'-diacetic acid-N'-cyanomethyl, salts thereof, and their preparation HAMPSHIRE CHEMICAL CORP. (US) 1993-06-16 EP disclosed
US-5191081-A 1-cyanomethyl-4-carboxymethyl-3-ketopiperazine, salts thereof and process for their preparation W. R. GRACE & CO.-CONN. (US) 1993-03-02 US disclosed
US-5191081-A 1-cyanomethyl-4-carboxymethyl-3-ketopiperazine, salts thereof and process for their preparation W. R. GRACE & CO.-CONN. (US) 1993-03-02 US disclosed
US-5191106-A N,N'-DIACETIC ACID-N'-CYANOMETHYL, SALTS THEREOF, AND THEIR PREPARATION W. R. GRACE & CO.-CONN. (US) 1993-03-02 US disclosed
US-5191106-A N,N'-DIACETIC ACID-N'-CYANOMETHYL, SALTS THEREOF, AND THEIR PREPARATION W. R. GRACE & CO.-CONN. (US) 1993-03-02 US disclosed
US-5177243-A Intermediate for ethylenediaminetriacetic acid W. R. GRACE & CO.-CONN. (US) 1993-01-05 US disclosed
EP-0367223-A2 Chelants possessing ortho ligating functionality and complexes thereof THE DOW CHEMICAL COMPANY (US) 1990-05-09 EP disclosed