SCHEMBL19985263

SCHEMBL19985263

C/C=C/CCC1CCC(C2CCC(c3ccc(OCCCCCC)c(F)c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

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 0.31
S1PR5 Q9H228 2/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
S1PR1 P21453 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
SCHEMBL19985259 1.00 CNR1 (0.32) CNR1CNR2PTGESALOX5PTGIR
SCHEMBL19985273 1.00 CNR1 (0.32) CNR1CNR2PTGESALOX5PTGIR
SCHEMBL19985265 1.00 CNR1 (0.32) CNR1CNR2PTGESALOX5PTGIR
SCHEMBL19985257 0.99 PTGES (0.33) CNR1CNR2PTGESALOX5PTGIR
SCHEMBL19985262 0.96 ALOX5 (0.35) PTGESALOX5PTGIR
SCHEMBL22277523 0.95 ALOX5 (0.35) PTGESALOX5
SCHEMBL8962768 0.94
SCHEMBL8963007 0.94
SCHEMBL8962979 0.94
SCHEMBL8962918 0.94

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