SCHEMBL19985580

SCHEMBL19985580

C/C=C/CCC1CCC(c2ccc(-c3ccc(OCCCCCCC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGIR P43119 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
S1PR5 Q9H228 2/20 0.30
S1PR1 P21453 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL19985573 1.00 CNR1 (0.32) CNR1CNR2PTGESALOX5PTGIR
SCHEMBL19985575 1.00 CNR1 (0.32) CNR1CNR2PTGESALOX5PTGIR
SCHEMBL19985578 1.00 CNR1 (0.32) CNR1CNR2PTGESALOX5PTGIR
SCHEMBL19985579 0.99 PTGES (0.32) CNR1CNR2PTGESALOX5PTGIR
SCHEMBL19985572 0.96 ALOX5 (0.35) PTGESALOX5ALOX5APFEN1
SCHEMBL8935569 0.95 CNR1 (0.31) CNR1CNR2PTGESALOX5
SCHEMBL8935549 0.95 CNR1 (0.31) CNR1CNR2PTGESALOX5
SCHEMBL8935546 0.95 CNR1 (0.31) CNR1CNR2PTGESALOX5
SCHEMBL8935506 0.95 CNR1 (0.31) CNR1CNR2PTGESALOX5
SCHEMBL8935556 0.94 PTGES (0.31) PTGESALOX5

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