SCHEMBL19829113

SCHEMBL19829113

CCCC1CCC(C2CCC(C(F)(F)Oc3ccc(OCF)c(F)c3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
MCHR1 Q99705 1/20 0.31
KDM1A O60341 2/20 0.30
FFAR1 O14842 1/20 0.30
PPARD Q03181 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
SCHEMBL16258082 0.89 FFAR4 (0.36) SCN9AMCHR1
SCHEMBL19829183 0.89 ALOX5AP (0.36) MCHR1FFAR1PPARD
SCHEMBL16541709 0.86 FFAR4 (0.34) SCN9A
SCHEMBL12621886 0.86 ALOX5AP (0.33) FFAR1PPARD
SCHEMBL19829171 0.85 OPRL1 (0.34) KDM1A
SCHEMBL19829210 0.85 SCN9A (0.30) SCN9A
SCHEMBL19829187 0.85 SCN9A (0.30) SCN9A
SCHEMBL12032065 0.85 EPHX2 (0.35) MCHR1
SCHEMBL12032293 0.85 EPHX2 (0.35) MCHR1
SCHEMBL16559945 0.84 SCN9A (0.33) SCN9AMCHR1KDM1A

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