SCHEMBL18540259

SCHEMBL18540259

C=CCCc1ccc(-c2ccc(CCCCc3ccc(CC/C=C/C)cc3)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ESR1 P03372 1/20 0.32
CYP19A1 P11511 1/20 0.32
ESR2 Q92731 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
FFAR1 O14842 2/20 0.30
FFAR4 Q5NUL3 2/20 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
SCHEMBL18540200 0.97 RARB (0.36) RARBRARARARGHDAC1HDAC8
SCHEMBL18540138 0.94 RARB (0.37) RARBRARARARGHDAC1HDAC8
SCHEMBL18540250 0.91 RARB (0.43) RARBRARARARGHDAC1HDAC8
SCHEMBL18540198 0.90 RARB (0.40) RARBRARARARGHDAC1HDAC8
SCHEMBL18540256 0.88 RARB (0.37) RARBRARARARGHDAC1HDAC8
SCHEMBL18540260 0.87 HTR2A (0.33) TAAR1FFAR1FFAR4
SCHEMBL18540248 0.86 RARB (0.31) RARBRARARARGTAAR1
SCHEMBL18552014 0.86
SCHEMBL18540184 0.86 RARB (0.32) RARBRARARARGFFAR1FFAR4
SCHEMBL18540205 0.85 RARB (0.35) RARBRARARARGHDAC1HDAC8

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