SCHEMBL20005285

SCHEMBL20005285

CCCCc1ccc(C#Cc2cc(F)c(-c3ccc4cc(-c5ccc6cc(C)ccc6c5)ccc4c3)cc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.40
RARB P10826 4/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
MPL P40238 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPN11 Q06124 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
SCHEMBL19999496 0.92 RARB (0.39) FFAR1RARBRARARARGTHRA
SCHEMBL20006705 0.92 BCHE (0.36) FFAR1RARBRARARARGTHRA
SCHEMBL20004878 0.91 HRH3 (0.38) FFAR1RARBRARARARGTSHR
SCHEMBL19999635 0.90 RARB (0.42) FFAR1RARBRARARARGTHRA
SCHEMBL19999499 0.90 RARB (0.39) FFAR1RARBRARARARGTHRA
SCHEMBL20006670 0.90 RARB (0.35) FFAR1RARBRARARARGTSHR
SCHEMBL19999457 0.89 HRH3 (0.38) FFAR1RARBRARARARGTSHR
SCHEMBL20006750 0.87 RARB (0.42) FFAR1RARBRARARARGTSHR
SCHEMBL19999637 0.87 RARB (0.39) FFAR1RARBRARARARGTHRA
SCHEMBL19999494 0.85 RARB (0.40) FFAR1RARBRARARARGTHRA

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