SCHEMBL50117

SCHEMBL50117

C=C(CCC(C)N)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.60
GABRD O14764 2/20 0.60
GABRA1 P14867 2/20 0.60
GABRB1 P18505 2/20 0.60
GABRG2 P18507 2/20 0.60
GABRB3 P28472 2/20 0.60
GABRA5 P31644 2/20 0.60
GABRA3 P34903 2/20 0.60
GABRA2 P47869 2/20 0.60
GABRB2 P47870 2/20 0.60
GABRA4 P48169 2/20 0.60
GABRE P78334 2/20 0.60
GABRA6 Q16445 2/20 0.60
GABRG1 Q8N1C3 2/20 0.60
GABRG3 Q99928 2/20 0.60
GABRQ Q9UN88 2/20 0.60
GRIK1 P39086 3/20 0.45
GRIK2 Q13002 2/20 0.45
GRM1 Q13255 2/20 0.45
GRM2 Q14416 2/20 0.45

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
SCHEMBL23251 0.81 CA1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5201802 0.81 GRIK1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27792 0.79 ALDH1A1 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2843845 0.78 GRIK1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL194542 0.77 CYP1A2 (0.60) GRIK1GRIK2GRM1GRM2TET2
SCHEMBL4929076 0.77 TET2 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL1961274 0.77 ALDH1A1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4939024 0.77 TET2 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9321915 0.77 GRIK1 (0.61) GRIK1GRIK2GRM1GRM2TET2
SCHEMBL3238660 0.77 TET2 (0.39) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020185373-A1 COATED PROPPANTS DOW GLOBAL TECHNOLOGIES LLC (US) 2020-09-17 WO claimed
US-8163390-B2 Radiation-curable compounds BASF SE (DE) 2012-04-24 US claimed
US-20100098950-A1 RADIATION-CURABLE COMPOUNDS BASF SE (DE) 2010-04-22 US claimed
EP-2089445-A1 RADIATION-CURABLE COMPOUNDS BASF SE (DE) 2009-08-19 EP claimed
EP-2089444-A1 RADIATION-CURABLE COMPOUNDS BASF SE (DE) 2009-08-19 EP claimed
EP-1869098-B1 RADIATION-HARDENABLE COMPOUNDS BASF SE (DE) 2009-04-01 EP claimed
EP-1984417-A2 COATINGS REPARABLE BY ENERGY DISCHARGE BASF SE (DE) 2008-10-29 EP claimed
US-20080194725-A1 Radiation-Hardenable Compounds BASF AKTIENGESELLSCHAFT (DE) 2008-08-14 US claimed
EP-1727868-B1 CER COMPOUNDS USED AS INITIATORS FOR DUAL CURING BASF SE (DE) 2008-05-28 EP claimed
WO-2008043723-A1 RADIATION-CURABLE COMPOUNDS BASF SE (DE) 2008-04-17 WO claimed
EP-1869098-A1 RADIATION-HARDENABLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2007-12-26 EP claimed
WO-2007088126-A2 COATINGS REPARABLE BY ENERGY DISCHARGE BASF SE (DE) 2007-08-09 WO claimed
US-20070172668-A1 Cer compounds used as initiators for dual curing BASF AKTIENGESELLSCHAFT (DE) 2007-07-26 US claimed
EP-1727868-A1 CER COMPOUNDS USED AS INITIATORS FOR DUAL CURING BASF Aktiengesellschaft (DE) 2006-12-06 EP claimed
WO-2006103228-A1 RADIATION-HARDENABLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2006-10-05 WO claimed
WO-2005090489-A1 CER COMPOUNDS USED AS INITIATORS FOR DUAL CURING BASF AKTIENGESELLSCHAFT (DE) 2005-09-29 WO claimed
EP-0976798-B1 Covalent attachment of polymers onto macromolecular chromophores by nucleophilic substitution reaction for inkjet printing HEWLETT PACKARD CO (US) 2004-07-07 EP claimed
US-6221932-B1 BONDED TO POLYMER HEWLETT-PACKARD COMPANY 2001-04-24 US claimed
EP-0976798-A1 Covalent attachment of polymers onto macromolecular chromophores by nucleophilic substitution reaction for inkjet printing Hewlett-Packard Company (US) 2000-02-02 EP claimed
US-4735887-A ACRYLIC MONOMERS COMPRISING A CARBOXYLIC ACID, PRIM-AMINOALKYL ACRYLATE AND SEC OR TERT-AMINOALKYL ACRYLATE; GELATIN REPLACEMENT IN PHOTOGRAPHIC LAYERS; RESOLUTION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-04-05 US claimed