SCHEMBL6940595

SCHEMBL6940595

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)NC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 8/20 0.64
PLA2G2A P14555 4/20 0.59
SIRT6 Q8N6T7 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
GPR84 Q9NQS5 3/20 0.47
FFAR1 O14842 1/20 0.47
ZDHHC7 Q9NXF8 1/20 0.46
MAPT P10636 1/20 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
SCHEMBL19271786 1.00 PLA2G2C (0.64) PLA2G2CPLA2G2ASIRT6SIRT1GPR84
SCHEMBL30887481 1.00 PLA2G2C (0.64) PLA2G2CPLA2G2ASIRT6SIRT1GPR84
SCHEMBL27334118 1.00 PLA2G2C (0.64) PLA2G2CPLA2G2ASIRT6SIRT1GPR84
SCHEMBL10576657 1.00 PLA2G2C (0.64) PLA2G2CPLA2G2ASIRT6SIRT1GPR84
SCHEMBL11606057 1.00 PLA2G2C (0.64) PLA2G2CPLA2G2ASIRT6SIRT1GPR84
SCHEMBL19271824 1.00 PLA2G2C (0.64) PLA2G2CPLA2G2ASIRT6SIRT1GPR84
SCHEMBL28751562 0.98 PLA2G2C (0.67) PLA2G2CPLA2G2ASIRT6SIRT1GPR84
SCHEMBL2666554 0.98 PLA2G2C (0.67) PLA2G2CPLA2G2ASIRT6SIRT1GPR84
SCHEMBL17193095 0.96 PLA2G2C (0.60) PLA2G2CPLA2G2ASIRT6SIRT1GPR84
SCHEMBL19412266 0.96 PLA2G2C (0.60) PLA2G2CPLA2G2ASIRT6SIRT1GPR84

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
EP-1208268-B1 NOVEL QUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF EVONIK GOLDSCHMIDT CORP (US) 2013-07-10 EP disclosed
EP-1045891-A4 NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF GOLDSCHMIDT CHEMICAL CORP (US) 2003-01-22 EP disclosed
US-6458343-B1 Quaternary compounds, compositions containing them, and uses thereof GOLDSCHMIDT CHEMICAL CORPORATION 2002-10-01 US disclosed
EP-1208268-A1 NOVEL QUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF Goldschmidt Chemical Company (US) 2002-05-29 EP disclosed
US-6376455-B1 FABRIC SOFTENER, QUATERNARY FATTY ACID AMINO ALCOHOL ESTERS OF METHYLETHANOLISOPROPANOLAMINE (MEIPA) WITH FATTY ACIDS IN THE RATIO OF FROM 1:1.5 TO 1:2 WITH USE OF MONOFUNCTIONAL ALCOHOLS OR BIFUNCTIONAL ALCOHOLS. GOLDSCHMIDT REWO GMBH & CO. KG (DE) 2002-04-23 US disclosed
WO-2001085109-A1 NOVEL QUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF GOLDSCHMIDT CHEMICAL COMPANY (US) 2001-11-15 WO disclosed
EP-1121341-A1 POLYESTER POLYQUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF Goldschmidt Chemical Corporation (US) 2001-08-08 EP disclosed
US-6235914-B1 Amine and quaternary ammonium compounds made from ketones and aldehydes, and compositions containing them GOLDSCHMIDT CHEMICAL COMPANY 2001-05-22 US disclosed
US-6211139-B1 Polyester polyquaternary compounds, compositions containing them, and use thereof GOLDSCHMIDT CHEMICAL CORPORATION 2001-04-03 US disclosed
WO-2000075426-A1 PAPER SOFTNER/DEBONDERS COMPOSITIONS WITCO CORPORATION (US) 2000-12-14 WO disclosed
WO-2000068502-A1 NOVEL QUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF GOLDSCHMIDT CHEMICAL COMPANY (US) 2000-11-16 WO disclosed
EP-1045891-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF Goldschmidt Chemical Corporation (US) 2000-10-25 EP disclosed
WO-2000021918-A1 POLYESTER POLYQUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF GOLDSCHMIDT CHEMICAL CORPORATION (US) 2000-04-20 WO disclosed
WO-1999035223-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF WITCO CORPORATION (US) 1999-07-15 WO disclosed
WO-1999035120-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF WITCO CORPORATION (US) 1999-07-15 WO disclosed