SCHEMBL999329

SCHEMBL999329

CCCCCCCCCCCCCCCCCC(=O)C(CCl)CC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.48
FAAH O00519 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
PIK3R1 P27986 1/20 0.43
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
PIK3CA P42336 1/20 0.43
AKT3 Q9Y243 1/20 0.43
CES1 P23141 3/20 0.42

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
Trimethylammonium SCHEMBL23070836 0.87 FAAH (0.57) FAAHMAPTKMT2A
SCHEMBL2999181 0.85 CES2 (0.52) CES2FAAHMAPTKMT2APIK3R1
SCHEMBL28213314 0.84 CES2 (0.50) CES2FAAHMAPTKMT2APIK3R1
SCHEMBL9390983 0.84 CES2 (0.50) CES2FAAHMAPTKMT2APIK3R1
SCHEMBL2993421 0.84 CES2 (0.50) CES2FAAHMAPTKMT2APIK3R1
SCHEMBL7797219 0.84 CES2 (0.50) CES2FAAHMAPTKMT2APIK3R1
SCHEMBL932701 0.82 KMT2A (0.55) CES2MAPTKMT2AALDH1A1TSHR
SCHEMBL29255787 0.82 CES2 (0.48) CES2FAAHMAPTKMT2APIK3R1
SCHEMBL29283927 0.82 CES2 (0.48) CES2FAAHMAPTKMT2APIK3R1
SCHEMBL933570 0.79 KMT2A (0.56) MAPTKMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140058123-A1 DEODORIZED EDIBLE OIL OR FAT WITH LOW LEVELS OF BOUND-MCPD AND PROCESS OF MAKING USING AN INERT GAS NESTEC S.A. (CH) 2014-02-27 US disclosed
US-8653288-B2 Deodorized edible oil or fat with low levels of bound MCPD and process of making by carboxymethyl cellulose and/or resin purification NESTEC S.A. (CH) 2014-02-18 US disclosed
EP-2456847-A1 A DEODORIZED EDIBLE OIL OR FAT WITH LOW LEVELS OF BOUND MCPD AND PROCESS OF MAKING BY CARBOXYMETHYL CELLULOSE AND/OR RESIN PURIFICATION Nestec S.A. (CH) 2012-05-30 EP disclosed
EP-2456848-A1 A DEODORIZED EDIBLE OIL OR FAT WITH LOW LEVELS OF BOUND MCPD AND PROCESS OF MAKING USING AN INERT GAS Nestec S.A. (CH) 2012-05-30 EP disclosed
US-20120121733-A1 DEODORIZED EDIBLE OIL OR FAT WITH LOW LEVELS OF BOUND MCPD AND PROCESS OF MAKING USING AN INERT GAS NESTEC S.A. (CH) 2012-05-17 US disclosed
US-20120122983-A1 DEODORIZED EDIBLE OIL OR FAT WITH LOW LEVELS OF BOUND MCPD AND PROCESS OF MAKING BY CARBOXYMETHYL CELLULOSE AND/OR RESIN PURIFICATION NESTEC S.A. (CH) 2012-05-17 US disclosed
WO-2011009843-A1 A DEODORIZED EDIBLE OIL OR FAT WITH LOW LEVELS OF BOUND MCPD AND PROCESS OF MAKING USING AN INERT GAS NESTEC S.A. (CH) 2011-01-27 WO disclosed
WO-2011009841-A1 A DEODORIZED EDIBLE OIL OR FAT WITH LOW LEVELS OF BOUND MCPD AND PROCESS OF MAKING BY CARBOXYMETHYL CELLULOSE AND/OR RESIN PURIFICATION NESTEC S.A. (CH) 2011-01-27 WO disclosed