SCHEMBL18722014

SCHEMBL18722014

C=C(C)OCc1ccc(C2CCCCC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.33
FEN1 P39748 9/20 0.32
NUDT1 P36639 1/20 0.31
BACE1 P56817 1/20 0.31
ALOX5AP P20292 8/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
PTGDR Q13258 1/20 0.31
AOC3 Q16853 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
SCHEMBL30856 0.88 ESR2 (0.34)
SCHEMBL19865012 0.75 PTGDR2 (0.38) PTGDR2FEN1ALOX5APPTGDR
SCHEMBL27952428 0.73 CEL (0.44) PTGDR2FEN1ALOX5AP
SCHEMBL12740189 0.72 HTR1A (0.35) FEN1ALOX5AP
SCHEMBL12736579 0.72 HTR1A (0.35) FEN1ALOX5AP
SCHEMBL27940701 0.72 FEN1 (0.33) PTGDR2FEN1ALOX5AP
SCHEMBL12736652 0.69 HCRTR2 (0.36) PTGDR2
SCHEMBL7567379 0.69 TYR (0.40)
SCHEMBL12716117 0.69 ADRA1A (0.35)
SCHEMBL12242825 0.68 ESR2 (0.35) FEN1ALOX5AP

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-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed