SCHEMBL12346014

SCHEMBL12346014

CCCCCOCOC(=O)C(F)(F)C(F)(F)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.47
CES1 P23141 6/20 0.40
PLA2G2C Q5R387 1/20 0.40
FAAH O00519 8/20 0.38
TSHR P16473 2/20 0.38
NAAA Q02083 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 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
SCHEMBL12346017 0.98 CES2 (0.50) CES2CES1PLA2G2CFAAHTSHR
SCHEMBL12346013 0.95 ALDH1A1 (0.41) CES2CES1PLA2G2CFAAHTSHR
SCHEMBL13446145 0.93 CES2 (0.53) CES2CES1PLA2G2CFAAHNAAA
SCHEMBL13446139 0.92 CES2 (0.56) CES2CES1PLA2G2CFAAHNAAA
SCHEMBL12346016 0.88 CES2 (0.33) CES2TSHRALDH1A1
SCHEMBL13446138 0.88 CES2 (0.46) CES2CES1FAAHTSHRMEN1
SCHEMBL12346019 0.81 ALDH1A1 (0.36) TSHRHSD17B10ALDH1A1
SCHEMBL28342787 0.79 NAAA (0.52) CES2FAAHTSHRNAAAALDH1A1
SCHEMBL18826709 0.75 ALDH1A1 (0.58) CES2PLA2G2CFAAHTSHRNAAA
SCHEMBL7175331 0.73 CES2 (0.59) CES2PLA2G2CFAAHTSHRNAAA

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