SCHEMBL17360709

SCHEMBL17360709

CCCCCCCCCCCCCC(C)(C)N(CC)C(=O)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
GGPS1 O95749 6/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
APEX1 P27695 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FDPS P14324 9/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
Bromide SCHEMBL9510259 0.85 CES2 (0.39) CES2GGPS1FDPSMEN1MAPT
Bromide SCHEMBL6416514 0.85 CES2 (0.39) CES2GGPS1FDPSMEN1MAPT
Hydrochloric Acid SCHEMBL10384076 0.85 CES2 (0.39) CES2GGPS1FDPSMEN1MAPT
Iodide SCHEMBL6409615 0.85 CES2 (0.39) CES2GGPS1FDPSMEN1MAPT
Hydrochloric Acid SCHEMBL10384082 0.85 CES2 (0.39) CES2GGPS1FDPSMEN1MAPT
Hydrochloric Acid SCHEMBL10383869 0.75 ZDHHC20 (0.41) CES2GGPS1GMNNUSP2CYP1A2
Hydrochloric Acid SCHEMBL10384117 0.75 ZDHHC20 (0.41) CES2GGPS1GMNNUSP2CYP1A2
SCHEMBL19939441 0.73 CES2 (0.42) CES2GGPS1FDPSMEN1MAPT
SCHEMBL8521468 0.73 CES2 (0.42) CES2GGPS1FDPSMEN1MAPT
SCHEMBL372522 0.69 CES2 (0.39) CES2GGPS1FDPSMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2960319-B1 HYDROCARBYL SOLUBLE QUATERNARY AMMONIUM CARBOXYLATES AND FUEL COMPOSITIONS CONTAINING THEM AFTON CHEMICAL CORP (US) 2019-03-13 EP disclosed
US-9677020-B2 Hydrocarbyl soluble quaternary ammonium carboxylates and fuel compositions containing them AFTON CHEMICAL CORPORATION (US) 2017-06-13 US disclosed
US-20150376524-A1 HYDROCARBYL SOLUBLE QUATERNARY AMMONIUM CARBOXYLATES AND FUEL COMPOSITIONS CONTAINING THEM AFTON CHEMICAL CORPORATION 2015-12-31 US disclosed
EP-2960319-A2 HYDROCARBYL SOLUBLE QUATERNARY AMMONIUM CARBOXYLATES AND FUEL COMPOSITIONS CONTAINING THEM Afton Chemical Corporation (US) 2015-12-30 EP disclosed