SCHEMBL19985583

SCHEMBL19985583

C/C=C/COc1ccc(-c2ccc(C3CCC(C)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
HTR1A P08908 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
SCHEMBL19985276 0.91 SCN9A (0.31)
SCHEMBL19986386 0.89 PTGDR2 (0.36) ALOX5APFEN1
SCHEMBL19985590 0.88 HTR1A (0.31) ALOX5APFEN1CTSLCTSSCTSK
SCHEMBL19985597 0.87 HTR1A (0.32) CTSLCTSSCTSKHTR1A
SCHEMBL19985581 0.86 HTR2C (0.39) HTR1A
SCHEMBL8934808 0.85 PTGDR (0.31) ALOX5APFEN1
SCHEMBL19985457 0.84 FPR2 (0.36) ALOX5APFEN1
SCHEMBL19985600 0.84 MEN1 (0.32) CTSLCTSSCTSKHTR1A
SCHEMBL9016192 0.84 ALOX5AP (0.33) ALOX5APFEN1
SCHEMBL19985608 0.83 GAA (0.32) CTSLCTSSCTSKHTR1A

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