SCHEMBL19985405

SCHEMBL19985405

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.33
PTPN11 Q06124 1/20 0.31
S1PR3 Q99500 1/20 0.31
FPR2 P25090 1/20 0.30
S1PR5 Q9H228 2/20 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
SCHEMBL19985391 1.00 SPHK1 (0.33) SPHK1PTPN11S1PR3FPR2S1PR5
SCHEMBL19985393 1.00 SPHK1 (0.33) SPHK1PTPN11S1PR3FPR2S1PR5
SCHEMBL19985392 1.00 SPHK1 (0.33) SPHK1PTPN11S1PR3FPR2S1PR5
SCHEMBL19985399 0.99 SPHK1 (0.31) SPHK1FPR2
SCHEMBL19985385 0.96 RAB9A (0.32) FPR2
SCHEMBL19985390 0.93 FPR2 (0.34) FPR2
SCHEMBL19985382 0.92 SPHK1 (0.33) SPHK1PTPN11S1PR3FPR2S1PR5
SCHEMBL19985383 0.92 SPHK1 (0.33) SPHK1PTPN11S1PR3FPR2S1PR5
SCHEMBL19985386 0.92 SPHK1 (0.33) SPHK1PTPN11S1PR3FPR2S1PR5
SCHEMBL19985389 0.92 SPHK1 (0.33) SPHK1PTPN11S1PR3FPR2S1PR5

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