SCHEMBL19829208

SCHEMBL19829208

CCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
GRM2 Q14416 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
FFAR1 O14842 1/20 0.30
RARB P10826 1/20 0.30
PDK2 Q15119 1/20 0.30
ALOX5 P09917 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
SCHEMBL19829098 0.98 S1PR1 (0.32) ALOX5APFEN1S1PR1S1PR3GRM2
SCHEMBL18310587 0.96 FFAR1 (0.34) ALOX5APFEN1S1PR1S1PR3GRM2
SCHEMBL19829222 0.95 S1PR1 (0.34) ALOX5APFEN1S1PR1S1PR3GRM2
SCHEMBL19829192 0.95 FFAR1 (0.35) ALOX5APFEN1S1PR1S1PR3GRM2
SCHEMBL19829223 0.94 S1PR1 (0.30) S1PR1S1PR3
SCHEMBL19829206 0.94 S1PR1 (0.35) ALOX5APFEN1S1PR1S1PR3GRM2
SCHEMBL18310565 0.91 FFAR1 (0.32) ALOX5APFEN1S1PR1S1PR3GRM2
SCHEMBL19829119 0.91 PTGS2 (0.30) S1PR1S1PR3GRM2
SCHEMBL18310577 0.91 S1PR1 (0.36) ALOX5APFEN1S1PR1S1PR3GRM2
SCHEMBL19829173 0.91 S1PR1 (0.36) ALOX5APFEN1S1PR1S1PR3GRM2

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