SCHEMBL8762013

SCHEMBL8762013

CC(=CC(C)N(C)C)C(=O)O.CCCCCCCCCCCCCCCCBr

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.35
EP300 Q09472 1/20 0.35
LCK P06239 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
LMNA P02545 2/20 0.34
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
THRB P10828 1/20 0.34
PGGT1B P53609 1/20 0.34
ACE2 Q9BYF1 1/20 0.33
FAAH O00519 1/20 0.33
GPR84 Q9NQS5 6/20 0.33
FFAR1 O14842 2/20 0.33
PPARG P37231 4/20 0.32
PPARA Q07869 4/20 0.32
TSHR P16473 3/20 0.32
HDAC11 Q96DB2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL9436706 1.00 PPARD (0.35) PPARDEP300LCKZDHHC20ZDHHC2
SCHEMBL4164364 0.88 TSHR (0.41) PPARDEP300LCKZDHHC20ZDHHC2
SCHEMBL4164311 0.88 TSHR (0.41) PPARDEP300LCKZDHHC20ZDHHC2
SCHEMBL4162118 0.88 TSHR (0.41) PPARDEP300LCKZDHHC20ZDHHC2
SCHEMBL4172312 0.88 TSHR (0.41) PPARDEP300LCKZDHHC20ZDHHC2
SCHEMBL4173877 0.88 TSHR (0.41) PPARDEP300LCKZDHHC20ZDHHC2
SCHEMBL3916360 0.81 PTGS1 (0.31)
SCHEMBL44910 0.81 PTGS1 (0.31)
Hydrochloric Acid SCHEMBL5177431 0.79 PTGS1 (0.30)
Acetic Acid SCHEMBL6238307 0.79 FFAR3 (0.32) LCK

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-5292793-A Copolymer of acrylamide and a quaternized dimethylaminoethyl acrylate NALCO CHEMICAL COMPANY (US) 1994-03-08 US claimed
US-5635112-A MIXING EMULSION-BREAKING HYDROPHOBICALLY MODIFIED POLYELECTROLYTE COPOLYMER WITH EMULSION FOR SEPARATION INTO OIL AND WATER PHASES NALCO CHEMICAL COMPANY (US) 1997-06-03 US disclosed
EP-0637598-B1 Hydrophobic dispersants used in forming polymer dispersions NALCO CHEMICAL CO (US) 1997-05-02 EP disclosed
US-5603841-A COPOLYMER CONTAINING DIALLYLDIMETHYLAMMONIUM CHLORIDE NALCO CHEMICAL COMPANY (US) 1997-02-18 US disclosed
US-5597858-A POLYMERIZATION OF CATIONIC MONOMERS AS DISPERSANTS NALCO CHEMICAL COMPANY (US) 1997-01-28 US disclosed
EP-0637598-A2 Hydrophobic dispersants used in forming polymer dispersions NALCO CHEMICAL COMPANY (US) 1995-02-08 EP disclosed
US-5338816-A Treating paper mill waste water with a copolymer of diallyldimethylammonium chloride and a hydrophobic quaternized dimethylaminoethyl(meth)acrylate NALCO CHEMICAL COMPANY (US) 1994-08-16 US disclosed
US-5314627-A Papermaking NALCO CHEMICAL COMPANY (US) 1994-05-24 US disclosed
US-5292793-A Copolymer of acrylamide and a quaternized dimethylaminoethyl acrylate NALCO CHEMICAL COMPANY (US) 1994-03-08 US disclosed
US-5283306-A Diallyldimethylammonium chloride copolymerized with dimethylaminoethyl(meth)acrylate that has been quaternized NALCO CHEMICAL COMPANY (US) 1994-02-01 US disclosed