SCHEMBL19985595

SCHEMBL19985595

C=CCCOc1ccc(-c2ccc(C3CCC(CCC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
FPR2 P25090 2/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
CYP2C9 P11712 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
SCHEMBL8935776 0.95 GABRA1 (0.34) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL19985601 0.94 SCN9A (0.32) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL19985610 0.93 GAA (0.32) GABRA1GABRB2MAPT
SCHEMBL4402626 0.92 ALDH1A1 (0.31) GABRA1GABRB2ALDH1A1MAPTHTT
SCHEMBL8963447 0.92 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL19985615 0.92 GAA (0.33) MAPT
SCHEMBL19985622 0.92 GAA (0.33) MAPT
SCHEMBL19985626 0.92 GAA (0.33) MAPT
SCHEMBL17522414 0.92
SCHEMBL19985567 0.91 GABRA1 (0.35) GABRA1GABRB2FPR2ALOX5APFEN1

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