SCHEMBL19829237

SCHEMBL19829237

CCCC1COC(c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(-c5ccc(OCF)c(F)c5)c(F)c4)c(F)c3)c(F)c2)OC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL18310578 0.91 GRM2 (0.31) GRM2
SCHEMBL19829236 0.88 ALOX5AP (0.32) GRM2ALOX5APFEN1PIM1PIM2
SCHEMBL19829165 0.88
SCHEMBL19829212 0.88 GRM2 (0.32) GRM2
SCHEMBL12625218 0.88 GRM2 (0.33) GRM2
SCHEMBL12626350 0.87 GRM2 (0.31) GRM2
SCHEMBL12624347 0.87 GRM2 (0.35) GRM2ALOX5APFEN1
SCHEMBL18310582 0.86 FASN (0.35) GRM2ALOX5APFEN1PIM1PIM2
SCHEMBL12626372 0.86 GRM2 (0.35) GRM2ALOX5APFEN1
SCHEMBL12625250 0.86 GRM2 (0.35) GRM2ALOX5APFEN1

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