SCHEMBL19985318

SCHEMBL19985318

CCCCCCOc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.36
PTPN11 Q06124 2/20 0.34
S1PR3 Q99500 1/20 0.33
FPR2 P25090 1/20 0.33
SPHK2 Q9NRA0 7/20 0.33

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
SCHEMBL19985320 1.00 SPHK1 (0.36) SPHK1PTPN11S1PR3FPR2SPHK2
SCHEMBL19985322 1.00 SPHK1 (0.36) SPHK1PTPN11S1PR3FPR2SPHK2
SCHEMBL19985319 1.00 SPHK1 (0.36) SPHK1PTPN11S1PR3FPR2SPHK2
SCHEMBL19985317 0.99 SPHK1 (0.34) SPHK1PTPN11S1PR3FPR2
SCHEMBL19985321 0.95 RAB9A (0.36) SPHK1FPR2
SCHEMBL25138397 0.92 MAPT (0.36) SPHK1PTPN11S1PR3FPR2SPHK2
SCHEMBL9406404 0.92 MAPT (0.36) SPHK1PTPN11S1PR3FPR2SPHK2
SCHEMBL9406411 0.92 MAPT (0.36) SPHK1PTPN11S1PR3FPR2SPHK2
SCHEMBL19985335 0.92 MAPT (0.36) SPHK1PTPN11S1PR3FPR2SPHK2
SCHEMBL19985356 0.92 MAPT (0.36) SPHK1PTPN11S1PR3FPR2SPHK2

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