SCHEMBL19829183

SCHEMBL19829183

CCCC1CCC(C(F)(F)Oc2ccc(-c3ccc(OCF)c(F)c3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
GRM2 Q14416 3/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
FFAR4 Q5NUL3 9/20 0.33
PPARD Q03181 4/20 0.33
FFAR1 O14842 3/20 0.33
MCHR1 Q99705 1/20 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
SCHEMBL12621886 0.91 ALOX5AP (0.33) ALOX5APFEN1GRM2PIM1PIM2
SCHEMBL19829201 0.90 GRM2 (0.31) ALOX5APFEN1GRM2PIM1PIM2
SCHEMBL17050124 0.89 ALOX5AP (0.35) ALOX5APFEN1GRM2PIM1PIM2
SCHEMBL19829113 0.89 SCN9A (0.33) PPARDFFAR1MCHR1
SCHEMBL16325595 0.86 ALOX5AP (0.36) ALOX5APFEN1GRM2PIM1PIM2
SCHEMBL15461093 0.85 GRM2 (0.33) ALOX5APFEN1GRM2PPARD
SCHEMBL19829231 0.85 FFAR1 (0.33) ALOX5APFEN1GRM2FFAR4FFAR1
SCHEMBL15460670 0.85 GRM2 (0.33) ALOX5APFEN1GRM2
SCHEMBL13002934 0.85 ALOX5AP (0.36) ALOX5APFEN1GRM2
SCHEMBL12622334 0.84

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