SCHEMBL19985531

SCHEMBL19985531

C=CC1CCC(c2ccc(-c3ccc(OCCC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
FPR2 P25090 7/20 0.36
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HTR2A P28223 1/20 0.33
ALOX5AP P20292 3/20 0.30
FEN1 P39748 3/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL20888565 0.95 GABRA1 (0.38) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL8935112 0.94 GABRA1 (0.40) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL19985533 0.94 CNR2 (0.34) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL19985529 0.93 GABRA1 (0.34) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL19985537 0.92 GABRA1 (0.34) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL19985534 0.92 GABRA1 (0.34) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL19985536 0.92 GABRA1 (0.34) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL19985532 0.92 GABRA1 (0.34) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL19985210 0.92 GABRA1 (0.36) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL19985528 0.91 FPR2 (0.34) FPR2HTR2CHTR2BALOX5APFEN1

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