SCHEMBL5963901

SCHEMBL5963901

O=C(O)C(CF)=C(F)CCCCCC(F)=C(C(=O)O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.32
CES1 P23141 5/20 0.32
CES2 O00748 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FNTA P49354 2/20 0.30
FNTB P49356 2/20 0.30
THRB P10828 1/20 0.30
PGGT1B P53609 1/20 0.30

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
SCHEMBL9744931 0.80
SCHEMBL1260669 0.71
SCHEMBL5131874 0.70 FAAH (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5484846 0.67
SCHEMBL5630583 0.64 FNTA (0.62) CES1CES2MEN1KMT2AHSD17B10
SCHEMBL5630586 0.64 FNTA (0.62) CES1CES2MEN1KMT2AHSD17B10
SCHEMBL28238526 0.63 ALDH1A1 (0.30)
SCHEMBL1790076 0.62 ALDH1A1 (0.35) CES1THRB
SCHEMBL1790074 0.62 ALDH1A1 (0.35) CES1THRB
SCHEMBL9285328 0.61 FNTA (0.52) CES1CES2MEN1KMT2AHSD17B10

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-20060032045-A1 Method for the production of devices for storing electric power based on rechargeable lithium polymer cells GAIA AKKUMULATORENWERKE GMBH (DE) 2006-02-16 US disclosed