SCHEMBL20004902

SCHEMBL20004902

CCCCc1ccc(C#Cc2c(C)cc(-c3ccc4cc(-c5ccc(-c6ccc(C)cc6)cc5F)ccc4c3)cc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.37
RARA P10276 2/20 0.36
RARG P13631 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 5/20 0.35
MPL P40238 3/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL19999495 0.96 RARB (0.37) RARBRARARARGTSHRHSD17B10
SCHEMBL19999623 0.95 RARB (0.38) RARBRARARARGTSHRHSD17B10
SCHEMBL20005244 0.95 RARB (0.40) RARBRARARARGTSHRHSD17B10
SCHEMBL20004900 0.92 HRH3 (0.36) RARBRARARARGTSHRHSD17B10
SCHEMBL20004889 0.92 RARB (0.39) RARBRARARARGTSHRHSD17B10
SCHEMBL20006704 0.90 ESR1 (0.44) RARBRARARARGTSHRHSD17B10
SCHEMBL19999618 0.90 TSHR (0.46) RARBRARARARGTSHRHSD17B10
SCHEMBL20004483 0.90 TSHR (0.44) RARBRARARARGTSHRHSD17B10
SCHEMBL19999588 0.89 RARB (0.41) RARBRARARARGTSHRHSD17B10
SCHEMBL20004904 0.89 ESR1 (0.38) MAPTESR1ESR2

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