SCHEMBL18540271

SCHEMBL18540271

C/C=C/CCc1ccc(CCc2ccc(-c3ccc(CC/C=C/C)c(F)c3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
RARB P10826 2/20 0.36
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
MAOB P27338 3/20 0.34
FFAR1 O14842 4/20 0.34
FFAR4 Q5NUL3 4/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CYP17A1 P05093 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 1/20 0.33
CYP21A2 P08686 1/20 0.33
KIF11 P52732 1/20 0.33
GPR52 Q9Y2T5 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
SCHEMBL18540221 0.96 HTR2A (0.35) TAAR1RARBRARARARGMAOB
SCHEMBL18540250 0.94 RARB (0.43) TAAR1RARBRARARARGMAOB
SCHEMBL18540265 0.94 MAOB (0.34) TAAR1RARBRARARARGMAOB
SCHEMBL18540249 0.93 RARB (0.34) TAAR1RARBRARARARGMAOB
SCHEMBL12203424 0.91 RARB (0.40) TAAR1RARBRARARARGMAOB
SCHEMBL18540198 0.90 RARB (0.40) TAAR1RARBRARARARGMAOB
SCHEMBL18540205 0.88 RARB (0.35) RARBRARARARGFFAR1FFAR4
SCHEMBL18540217 0.86 RARB (0.36) RARBFFAR1FFAR4HTR2AHTR2C
SCHEMBL18540056 0.86 HTR2A (0.39) FFAR1FFAR4HTR2AHTR2CGPR52
SCHEMBL18540256 0.85 RARB (0.37) TAAR1RARBRARARARGMAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170051206-A1 LIQUID CRYSTAL COMPOUND HAVING ALKENYL ON BOTH ENDS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-02-23 US disclosed
US-20170051206-A1 LIQUID CRYSTAL COMPOUND HAVING ALKENYL ON BOTH ENDS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-02-23 US disclosed