SCHEMBL19985567

SCHEMBL19985567

C=CCCC1CCC(c2ccc(-c3ccc(OCCC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
FPR2 P25090 4/20 0.34
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HTR2A P28223 1/20 0.31
CNR2 P34972 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL8935632 0.95 GABRA1 (0.38) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL19985564 0.95 PTGES (0.33) GABRA1GABRB2FPR2CNR2ALOX5AP
SCHEMBL19985568 0.94 GABRA1 (0.32) GABRA1GABRB2FPR2CNR2ALOX5AP
SCHEMBL19985570 0.93 GABRA1 (0.32) GABRA1GABRB2CNR2
SCHEMBL19985569 0.93 GABRA1 (0.32) GABRA1GABRB2CNR2
SCHEMBL19985571 0.93 GABRA1 (0.32) GABRA1GABRB2CNR2
SCHEMBL19985565 0.93 GABRA1 (0.32) GABRA1GABRB2CNR2
SCHEMBL19985245 0.92 GABRA1 (0.34) GABRA1GABRB2HTR2CHTR2BHTR2A
SCHEMBL19985566 0.92 FPR2 (0.32) FPR2CNR2ALOX5APFEN1
SCHEMBL8963322 0.92 GABRA1 (0.36) GABRA1GABRB2FPR2

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