SCHEMBL19829180

SCHEMBL19829180

CCCc1ccc(C2CCC(c3cc(F)c(OCF)c(F)c3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.42
SPHK2 Q9NRA0 7/20 0.37
FFAR4 Q5NUL3 2/20 0.37
ACACB O00763 1/20 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
SCHEMBL18310489 0.89 SPHK1 (0.36) SPHK1SPHK2FFAR4
SCHEMBL18310432 0.85 KDM1A (0.43) SPHK1SPHK2
SCHEMBL19829149 0.84 FFAR4 (0.35) SPHK1SPHK2FFAR4
SCHEMBL18310446 0.84 FFAR4 (0.32) SPHK1FFAR4ACACB
SCHEMBL19829115 0.84 CYP2C9 (0.42) SPHK1SPHK2FFAR4
SCHEMBL18310527 0.81 FFAR4 (0.36) SPHK1FFAR4ACACB
SCHEMBL18310528 0.80 FFAR4 (0.32) FFAR4
SCHEMBL18310491 0.80 FFAR4 (0.33) FFAR4
SCHEMBL9754134 0.80 SPHK1 (0.48) SPHK1SPHK2
SCHEMBL9754142 0.80 SPHK1 (0.48) SPHK1SPHK2

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