SCHEMBL6665069

SCHEMBL6665069

C/C=C/[C@H]1CC[C@H](c2ccc(CCOC(F)(F)c3ccc([C@H]4CC[C@H](/C=C/C)CC4)cc3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.34
HTR2C P28335 2/20 0.33
SPHK2 Q9NRA0 7/20 0.30
HDAC2 Q92769 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL6664362 0.96 HTR2C (0.39) SPHK1HTR2C
SCHEMBL6662813 0.95 ESR2 (0.35) SPHK1HTR2C
SCHEMBL6666585 0.94 SPHK1 (0.31) SPHK1
SCHEMBL6663932 0.94 SPHK1 (0.31) SPHK1
SCHEMBL6666538 0.93 SPHK1 (0.30) SPHK1
SCHEMBL6666344 0.93 SPHK1 (0.33) SPHK1
SCHEMBL6666293 0.92 ALDH1A1 (0.40) SPHK1SPHK2
SCHEMBL6665964 0.92 SPHK1 (0.30) SPHK1
SCHEMBL6665435 0.92 SLC6A4 (0.33)
SCHEMBL6665194 0.91 HSD11B1 (0.38) HTR2CFFAR4

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
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed