SCHEMBL5668682

SCHEMBL5668682

C=C(CCC)C(N)=O.CN(C)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
EGFR P00533 2/20 0.36
AKR1B1 P15121 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
N,N-Dimethylethanaminium SCHEMBL446273 0.84 TDP1 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL421126 0.84 TDP1 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL28049127 0.82 TDP1 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL2435214 0.82 TDP1 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL422556 0.82
Methylamine SCHEMBL4377431 0.80 CES2 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
Ammonia Solution, Strong SCHEMBL8445489 0.80
Water SCHEMBL28252944 0.80
Hydrochloric Acid SCHEMBL6461485 0.80
SCHEMBL28204586 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030187-B2 Cellulose copolymers that modify fibers and surfaces and methods of making same SYMYX TECHNOLOGIES, INC. (US) 2006-04-18 US disclosed
EP-1409627-B1 USE OF COMPOUNDS IN PRODUCTS FOR LAUNDRY APPLICATIONS UNILEVER PLC (GB) 2005-11-09 EP disclosed
US-20050065283-A1 Cellulose copolymers that modify fibers and surfaces and methods of making same FREESLATE, INC. 2005-03-24 US disclosed
US-20040254089-A1 Use of compounds in products for laundry applications UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-12-16 US disclosed
US-6803410-B2 HAVING GRAFTS AND/OR CO-BLOCKS ARE PREPARED USING LIVING-TYPE FREE RADICAL POLYMERIZATION TECHNIQUES, WHICH PROVIDES CONTROL OVER THE DEGREE OF SUBSTITUTION AND GRAFT/CO-BLOCK COMPOSITION AND STRUCTURE SYMYX TECHNOLOGIES, INC. 2004-10-12 US disclosed
EP-1409627-A1 USE OF COMPOUNDS IN PRODUCTS FOR LAUNDRY APPLICATIONS UNILEVER PLC (GB) 2004-04-21 EP disclosed
US-20030199634-A1 Cellulose copolymers that modify fibers and surfaces and methods of making same SYMYX TECHNOLOGIES, INC. 2003-10-23 US disclosed
US-6596809-B2 Polymers and grafts, are disclosed that adhere to fibers and surfaces during an aqueous treatment process. The cellulosic polymers having grafts and/or co-blocks are prepared using living-type free radical polymerization for living type SYMYX TECHNOLOGIES, INC. 2003-07-22 US disclosed
US-20030092834-A1 Cellulose copolymers that modify fibers and surfaces and methods of making same FREESLATE, INC. 2003-05-15 US disclosed
WO-2003010268-A1 USE OF COMPOUNDS IN PRODUCTS FOR LAUNDRY APPLICATIONS UNILEVER PLC (GB) 2003-02-06 WO disclosed