SCHEMBL19985381

SCHEMBL19985381

C/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCC)c(F)c3F)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.32
SPHK1 Q9NYA1 3/20 0.31
FPR2 P25090 1/20 0.31
S1PR5 Q9H228 2/20 0.30
S1PR1 P21453 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL19985382 0.99 SPHK1 (0.33) FFAR4SPHK1FPR2S1PR5S1PR1
SCHEMBL19985386 0.99 SPHK1 (0.33) FFAR4SPHK1FPR2S1PR5S1PR1
SCHEMBL19985383 0.99 SPHK1 (0.33) FFAR4SPHK1FPR2S1PR5S1PR1
SCHEMBL19985389 0.99 SPHK1 (0.33) FFAR4SPHK1FPR2S1PR5S1PR1
SCHEMBL19985380 0.97 FFAR4 (0.34) FFAR4
SCHEMBL19985377 0.94 FPR2 (0.33) FFAR4FPR2GABRA1GABRB2
SCHEMBL19985399 0.92 SPHK1 (0.31) SPHK1FPR2GABRA1GABRB2
SCHEMBL19985393 0.91 SPHK1 (0.33) SPHK1FPR2S1PR5S1PR1
SCHEMBL19985391 0.91 SPHK1 (0.33) SPHK1FPR2S1PR5S1PR1
SCHEMBL19985405 0.91 SPHK1 (0.33) SPHK1FPR2S1PR5S1PR1

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