SCHEMBL6943359

SCHEMBL6943359

CCCCCCCCCCCCCCCCC(CCCCCCCCCCC)NC(=O)CCC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 2/20 0.67
DNM1 Q05193 1/20 0.58
PLA2G10 O15496 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
FAAH O00519 2/20 0.55
MAPK1 P28482 1/20 0.55
PRSS1 P07477 1/20 0.53
CTSG P08311 1/20 0.53
CTRB1 P17538 1/20 0.53
CMA1 P23946 1/20 0.53
CASP2 P42575 1/20 0.52
NOD1 Q9Y239 1/20 0.49
CPT2 P23786 1/20 0.47
CPT1A P50416 1/20 0.47
CPT1B Q92523 1/20 0.47
HSP90AA1 P07900 1/20 0.45
ENPP2 Q13822 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL17474427 0.96 PLA2G2C (0.63) PLA2G2CDNM1PLA2G10MEN1KMT2A
SCHEMBL31364557 0.92 PLA2G2C (0.77) PLA2G2CDNM1PLA2G10MEN1KMT2A
SCHEMBL27536177 0.92 PLA2G2C (0.77) PLA2G2CDNM1PLA2G10MEN1KMT2A
SCHEMBL30679514 0.92 PLA2G2C (0.77) PLA2G2CDNM1PLA2G10MEN1KMT2A
SCHEMBL31318140 0.92 PLA2G2C (0.77) PLA2G2CDNM1PLA2G10MEN1KMT2A
SCHEMBL25067268 0.92 PLA2G2C (0.77) PLA2G2CDNM1PLA2G10MEN1KMT2A
SCHEMBL2482500 0.92 PLA2G2C (0.77) PLA2G2CDNM1PLA2G10MEN1KMT2A
SCHEMBL27753924 0.92 PLA2G2C (0.77) PLA2G2CDNM1PLA2G10MEN1KMT2A
SCHEMBL11413721 0.87 PLA2G2C (0.76) PLA2G2CDNM1PLA2G10MEN1KMT2A
SCHEMBL19203885 0.87 PLA2G2C (0.61) PLA2G2CDNM1PLA2G10MEN1KMT2A

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