SCHEMBL8932225

SCHEMBL8932225

CCCOCCCOCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.44
PLA2G2C Q5R387 1/20 0.39
TSHR P16473 3/20 0.36
CES2 O00748 1/20 0.35
HSD17B10 Q99714 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL29300034 0.90 CES1 (0.38) CES1PLA2G2CHSD17B10MEN1THRB
SCHEMBL125933 0.90
SCHEMBL127742 0.85 CES1 (0.52) CES1PLA2G2CTSHRCES2HSD17B10
SCHEMBL9076724 0.84 CES1 (0.38) CES1PLA2G2CHTTEPHX2
SCHEMBL128551 0.83 CES1 (0.61) CES1PLA2G2CTSHRCES2HSD17B10
Fluoride SCHEMBL27418704 0.83 CES1 (0.50) CES1PLA2G2CTSHRCES2HSD17B10
SCHEMBL11995953 0.83 CES1 (0.41) CES1PLA2G2CTSHRCES2HSD17B10
SCHEMBL17920759 0.81 TSHR (0.36) CES1TSHRCES2HSD17B10MEN1
SCHEMBL128963 0.81 CES1 (0.64) CES1PLA2G2CTSHRCES2HSD17B10
SCHEMBL19043522 0.81 CES1 (0.64) CES1PLA2G2CTSHRCES2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187732-B2 Media lubricant for high temperature application SEAGATE TECHNOLOGY LLC (US) 2012-05-29 US disclosed
US-20110117386-A1 MEDIA LUBRICANT FOR HIGH TEMPERATURE APPLICATION SEAGATE TECHNOLOGY LLC (US) 2011-05-19 US disclosed