SCHEMBL19829149

SCHEMBL19829149

CCCc1ccc(C2CCC(C(F)(F)Oc3cc(F)c(OCF)c(F)c3)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.35
SPHK1 Q9NYA1 12/20 0.34
SPHK2 Q9NRA0 7/20 0.31

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
SCHEMBL18252139 0.85 SPHK1 (0.36) FFAR4SPHK1SPHK2
SCHEMBL19829180 0.84 SPHK1 (0.42) FFAR4SPHK1SPHK2
SCHEMBL18314875 0.83 SPHK1 (0.33) FFAR4SPHK1SPHK2
SCHEMBL18252060 0.82 SPHK1 (0.34) FFAR4SPHK1SPHK2
SCHEMBL18032089 0.82 SPHK1 (0.34) FFAR4SPHK1SPHK2
SCHEMBL15460895 0.79 SPHK1 (0.30) SPHK1
SCHEMBL18252152 0.79 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL18032205 0.79 SPHK1 (0.34) FFAR4SPHK1SPHK2
SCHEMBL18251914 0.79 SPHK1 (0.42) FFAR4SPHK1SPHK2
SCHEMBL12624263 0.78 SPHK1 (0.46) FFAR4SPHK1SPHK2

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-20180030351-A1 LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-02-01 US disclosed