SCHEMBL20005244

SCHEMBL20005244

CCCCc1ccc(C#Cc2c(C)cc(-c3ccc(-c4ccc5cc(-c6ccc(C)cc6)ccc5c4)cc3)cc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.40
RARA P10276 2/20 0.40
RARG P13631 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH3 Q9Y5N1 7/20 0.38
FFAR1 O14842 2/20 0.34
MAPT P10636 1/20 0.34
PTPN11 Q06124 1/20 0.32
PTPRO Q16827 1/20 0.32
ACACB O00763 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32

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
SCHEMBL20004889 0.97 RARB (0.39) RARBRARARARGTSHRHSD17B10
SCHEMBL20004902 0.95 RARB (0.37) RARBRARARARGTSHRHSD17B10
SCHEMBL19999618 0.94 TSHR (0.46) RARBRARARARGTSHRHSD17B10
SCHEMBL20004483 0.94 TSHR (0.44) RARBRARARARGTSHRHSD17B10
SCHEMBL20006836 0.93 RARB (0.39) RARBRARARARGTSHRHSD17B10
SCHEMBL19999492 0.93 TSHR (0.44) RARBRARARARGTSHRHSD17B10
SCHEMBL20006707 0.93 RARB (0.41) RARBRARARARGTSHRHSD17B10
SCHEMBL20006753 0.91 RARB (0.37) RARBRARARARGTSHRHSD17B10
SCHEMBL19999412 0.91 TSHR (0.42) RARBRARARARGTSHRHSD17B10
SCHEMBL19999463 0.91 TSHR (0.49) RARBRARARARGTSHRHSD17B10

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