SCHEMBL19986379

SCHEMBL19986379

C=COc1ccc(-c2ccc(C3CCCCC3)c(F)c2F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 18/20 0.35
ALOX5AP P20292 11/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
PTGDR Q13258 1/20 0.32

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
SCHEMBL20052523 0.94 PTGDR2 (0.37) FEN1ALOX5APPTGDR2PTGDR
SCHEMBL19985586 0.86
SCHEMBL19986360 0.86 PTGDR2 (0.32) PTGDR2
SCHEMBL19986378 0.83 FEN1 (0.35) FEN1ALOX5APPTGDR2
SCHEMBL19985584 0.83 FPR2 (0.30)
SCHEMBL19986380 0.82 HTR2C (0.38) FEN1ALOX5APPTGDR2PTGDR
SCHEMBL19985592 0.81 CYP2C9 (0.32)
SCHEMBL19986371 0.81 FEN1 (0.44) FEN1ALOX5APPTGDR2
SCHEMBL19986349 0.81 CYP3A4 (0.39) FEN1PTGDR2PTGDR
SCHEMBL19986385 0.80 FEN1 (0.37) FEN1ALOX5APPTGDR2PTGDR

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-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed