SCHEMBL7783889

SCHEMBL7783889

C=C(CCC)C(=O)O.CCN(C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 3/20 0.39
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TET2 Q6N021 4/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31
TBXAS1 P24557 2/20 0.31
GRIK1 P39086 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
Hydrochloric Acid SCHEMBL7060187 0.98 FFAR3 (0.37) FFAR3HDAC3HDAC1HDAC2HDAC8
N,N-Dimethylethanaminium SCHEMBL447224 0.89 FFAR3 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL29766120 0.89 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL180002 0.89 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL136533 0.86 HDAC3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL154411 0.86 HDAC3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL964726 0.86 HDAC3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL1424158 0.86 HDAC3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL6142286 0.86
SCHEMBL10663698 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699226-B2 HARD SURFACE CLEANING COMPOSITIONS COMPRISING POLYMERS UNILEVER PLC (GB) 2001-11-07 EP disclosed
EP-0811051-A1 CLEANING COMPOSITION COMPRISING QUATERNISED POLY-DIMETHYLSILOXANE AND NONIONIC SURFACTANT UNILEVER PLC (GB) 1997-12-10 EP disclosed
EP-0811049-A1 CLEANING COMPOSITION COMPRISING SATURATED DIALKYL CATIONIC SURFACTANTS UNILEVER PLC (GB) 1997-12-10 EP disclosed
WO-1996026260-A1 CLEANING COMPOSITION COMPRISING QUATERNISED POLY-DIMETHYLSILOXANE AND NONIONIC SURFACTANT UNILEVER PLC (GB) 1996-08-29 WO disclosed
WO-1996026257-A1 CLEANING COMPOSITION COMPRISING SATURATED DIALKYL CATIONIC SURFACTANTS UNILEVER PLC (GB) 1996-08-29 WO disclosed
US-4631226-A ACRYLATE AND OXIRANYL ACRYLATE COPOLYMERS, POLYAMINES FOR SHRINKAGE RESISTANCE IN WOOL, COTTON COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1986-12-23 US disclosed
EP-0006678-B1 COMPOSITIONS FOR THE TREATMENT OF TEXTILE MATERIALS AND THE APPLICATION THEREOF COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1986-02-05 EP disclosed
US-4520143-A CURABLE AQUEOUS EMULSION OF OXIRANE-CONTAINING ACRYLIC POLYMER AND POLYALKYLENE-AMINE; SHRINKAGE INHIBITION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1985-05-28 US disclosed
EP-0006678-A1 Compositions for the treatment of textile materials and the application thereof COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1980-01-09 EP disclosed