SCHEMBL20005215

SCHEMBL20005215

CCCc1ccc(CCc2ccc3cc(C#Cc4c(F)cc(-c5ccc(C)cc5)cc4CC)ccc3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.34
FFAR1 O14842 5/20 0.33
FFAR4 Q5NUL3 3/20 0.33
RARB P10826 2/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
PLAU P00749 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ASIC3 Q9UHC3 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
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
SCHEMBL20005214 0.97 FFAR1 (0.35) HRH3FFAR1FFAR4RARBRARA
SCHEMBL20005296 0.97 FFAR1 (0.35) HRH3FFAR1FFAR4RARBRARA
SCHEMBL20006857 0.94 RARB (0.37) HRH3FFAR1FFAR4RARBRARA
SCHEMBL19999464 0.92 RARB (0.38) HRH3RARBRARARARGPLAU
SCHEMBL19999554 0.88 RARB (0.43) HRH3RARBRARARARG
SCHEMBL25548582 0.84 FFAR1 (0.42) FFAR1RARBRARARARG
SCHEMBL19999491 0.81 ACACB (0.47) RARBRARA
SCHEMBL9742306 0.80 ASIC3 (0.45) HRH3FFAR1PLAUASIC3
SCHEMBL20005184 0.80 FFAR1 (0.43) FFAR1FFAR4
SCHEMBL20006853 0.79 FFAR1 (0.40) FFAR1RARBRARARARG

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
EP-3299439-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-03-28 EP disclosed