SCHEMBL2137150

SCHEMBL2137150

CCCC(C)C(CCC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45
GABRG3 Q99928 2/20 0.45
GABRQ Q9UN88 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43

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
SCHEMBL3707007 0.88 CYP1A2 (0.47) CYP1A2ALDH1A1TDP1AKR1B1FFAR4
SCHEMBL2139325 0.88 ALDH1A1 (0.50) CYP1A2ALDH1A1TDP1AKR1B1FFAR4
SCHEMBL11805982 0.87 CHRM1 (0.50) ALDH1A1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL20564123 0.86 ALDH1A1 (0.58) ALDH1A1TDP1AKR1B1FFAR4FFAR1
SCHEMBL27613174 0.85 CYP1A2 (0.52) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL5962617 0.85 FFAR1 (0.53) ALDH1A1TDP1FFAR4FFAR1
SCHEMBL20563917 0.85 ALDH1A1 (0.61) ALDH1A1TDP1AKR1B1MAPTFFAR4
SCHEMBL5962450 0.85 FFAR1 (0.53) ALDH1A1TDP1FFAR4FFAR1
SCHEMBL20565169 0.85 ALDH1A1 (0.61) ALDH1A1TDP1AKR1B1MAPTFFAR4
SCHEMBL5962529 0.85 FFAR1 (0.53) ALDH1A1TDP1FFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7862749-B2 Flame retardant polyurethanes and additives therefor ALBEMARLE CORPORATION (US) 2011-01-04 US disclosed
EP-2107079-A2 Flame retardants with high halogen content and low viscosity Albermarle Corporation (US) 2009-10-07 EP disclosed
EP-1664179-B1 FLAME RETARDANTS WITH HIGH HALOGEN CONTENT AND LOW VISCOSITY ALBEMARLE CORP (US) 2009-07-15 EP disclosed
US-7381354-B2 Flame retardants with high halogen content and low viscosity ALBEMARLE CORPORATION (US) 2008-06-03 US disclosed
US-20070276055-A1 Flame Retardant Polyurethanes and Additives Therefor ALBEMARLE CORPORATION (US) 2007-11-29 US disclosed
EP-1756224-B1 FLAME RETARDANT POLYURETHANES AND ADDITIVES THEREFOR ALBEMARLE CORP (US) 2007-10-17 EP disclosed
US-20070225517-A1 Flame Retardants With High Halogen Content and Low Viscosity ALBEMARLE CORPORATION (US) 2007-09-27 US disclosed
US-7258823-B2 Flame retardants with high halogen content and low viscosity ALBEMARLE CORPORATION (US) 2007-08-21 US disclosed
EP-1756224-A1 FLAME RETARDANT POLYURETHANES AND ADDITIVES THEREFOR ALBEMARLE CORPORATION (US) 2007-02-28 EP disclosed
EP-1664179-A1 FLAME RETARDANTS WITH HIGH HALOGEN CONTENT AND LOW VISCOSITY ALBEMARLE CORPORATION (US) 2006-06-07 EP disclosed
US-7045564-B2 Flame retardants with high halogen content and low viscosity ALBEMARLE CORPORATION (US) 2006-05-16 US disclosed
WO-2005118720-A1 FLAME RETARDANT POLYURETHANES AND ADDITIVES THEREFOR ALBEMARLE CORPORATION (US) 2005-12-15 WO disclosed
WO-2005023927-A1 FLAME RETARDANTS WITH HIGH HALOGEN CONTENT AND LOW VISCOSITY ALBEMARLE CORPORATION (US) 2005-03-17 WO disclosed
US-20050045857-A1 Flame retardants with high halogen content and low viscosity ALBEMARLE CORPORATION 2005-03-03 US disclosed
US-20050045858-A1 Flame retardants with high halogen content and low viscosity ALBEMARLE CORPORATION 2005-03-03 US disclosed