SCHEMBL19985382

SCHEMBL19985382

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.33
S1PR5 Q9H228 2/20 0.32
S1PR1 P21453 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
PTPN11 Q06124 1/20 0.31
S1PR3 Q99500 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
FPR2 P25090 1/20 0.30
THRA P10827 2/20 0.30
THRB P10828 2/20 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
SCHEMBL19985389 1.00 SPHK1 (0.33) SPHK1S1PR5S1PR1FFAR4PTPN11
SCHEMBL19985383 1.00 SPHK1 (0.33) SPHK1S1PR5S1PR1FFAR4PTPN11
SCHEMBL19985386 1.00 SPHK1 (0.33) SPHK1S1PR5S1PR1FFAR4PTPN11
SCHEMBL19985381 0.99 FFAR4 (0.32) SPHK1S1PR5S1PR1FFAR4FPR2
SCHEMBL19985380 0.96 FFAR4 (0.34) FFAR4
SCHEMBL19985377 0.93 FPR2 (0.33) FFAR4FPR2
SCHEMBL19985393 0.92 SPHK1 (0.33) SPHK1S1PR5S1PR1PTPN11S1PR3
SCHEMBL19985405 0.92 SPHK1 (0.33) SPHK1S1PR5S1PR1PTPN11S1PR3
SCHEMBL19985391 0.92 SPHK1 (0.33) SPHK1S1PR5S1PR1PTPN11S1PR3
SCHEMBL19985392 0.92 SPHK1 (0.33) SPHK1S1PR5S1PR1PTPN11S1PR3

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