SCHEMBL12346017

SCHEMBL12346017

CCCCCCOCOC(=O)C(F)(F)C(F)(F)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.50
CES1 P23141 6/20 0.42
PLA2G2C Q5R387 2/20 0.42
TSHR P16473 2/20 0.40
FAAH O00519 7/20 0.40
NAAA Q02083 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPHX1 P07099 1/20 0.38

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
SCHEMBL12346014 0.98 CES2 (0.47) CES2CES1PLA2G2CTSHRFAAH
SCHEMBL12346013 0.94 ALDH1A1 (0.41) CES2CES1PLA2G2CTSHRFAAH
SCHEMBL13446139 0.94 CES2 (0.56) CES2CES1PLA2G2CFAAHNAAA
SCHEMBL13446145 0.92 CES2 (0.53) CES2CES1PLA2G2CFAAHNAAA
SCHEMBL12346016 0.87 CES2 (0.33) CES2TSHR
SCHEMBL13446138 0.87 CES2 (0.46) CES2CES1TSHRFAAHMEN1
SCHEMBL28342787 0.77 NAAA (0.52) CES2TSHRFAAHNAAAEPHX1
SCHEMBL7175331 0.76 CES2 (0.59) CES2PLA2G2CTSHRFAAHNAAA
SCHEMBL895946 0.76 CES2 (0.59) CES2PLA2G2CTSHRFAAHNAAA
SCHEMBL18826709 0.74 ALDH1A1 (0.58) CES2PLA2G2CTSHRFAAHNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110189618-A1 RESIST PROCESSING METHOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-04 US disclosed