SCHEMBL4631696

SCHEMBL4631696

CCCCCCCCCCCCCCCCCC(=O)OC(=O)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.57
CES1 P23141 7/20 0.57
CES2 O00748 3/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
DGKA P23743 1/20 0.52
LMNA P02545 2/20 0.48
PAM P19021 2/20 0.47

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
SCHEMBL6624090 1.00 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6621021 1.00 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL31140192 1.00 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6619179 1.00 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28577564 1.00 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28779284 1.00 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11293992 1.00 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL10499113 1.00 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6566731 0.98 FAAH (0.55) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6563264 0.98 FAAH (0.55) FAAHCES1CES2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924240-A1 PERSONAL CARE PRODUCTS INCORPORATING CELLULOSIC FATTY ACID ESTERS EASTMAN CHEMICAL COMPANY (US) 2008-05-28 EP disclosed
WO-2007033252-A1 PERSONAL CARE PRODUCTS INCORPORATING CELLULOSIC FATTY ACID ESTERS EASTMAN CHEMICAL COMPANY (US) 2007-03-22 WO disclosed
US-20070053855-A1 Personal care products incorporating cellulosic fatty acid esters EASTMAN CHEMICAL COMPANY 2007-03-08 US disclosed