SCHEMBL18540249

SCHEMBL18540249

C/C=C/CCc1ccc(C/C=C/Cc2ccc(-c3ccc(CC/C=C/C)c(F)c3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
KIF11 P52732 1/20 0.33
FFAR1 O14842 4/20 0.32
FFAR4 Q5NUL3 4/20 0.32
MAOB P27338 2/20 0.32
CYP17A1 P05093 2/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL18540271 0.93 TAAR1 (0.36) RARBTAAR1RARARARGKIF11
SCHEMBL18540250 0.90 RARB (0.43) RARBTAAR1RARARARGKIF11
SCHEMBL18540042 0.90 FFAR1 (0.34) FFAR1FFAR4
SCHEMBL18540221 0.89 HTR2A (0.35) RARBTAAR1RARARARGKIF11
SCHEMBL18540199 0.89 FFAR1 (0.32) KIF11FFAR1FFAR4
SCHEMBL18540248 0.89 RARB (0.31) RARBTAAR1RARARARGKIF11
SCHEMBL12203424 0.87 RARB (0.40) RARBTAAR1RARARARGKIF11
SCHEMBL18540265 0.87 MAOB (0.34) RARBTAAR1RARARARGFFAR1
SCHEMBL18540198 0.86 RARB (0.40) RARBTAAR1RARARARGFFAR1
SCHEMBL18540205 0.84 RARB (0.35) RARBRARARARGFFAR1FFAR4

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