SCHEMBL20006704

SCHEMBL20006704

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.44
ESR2 Q92731 9/20 0.44
RARB P10826 4/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
MPL P40238 3/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL19999623 0.91 RARB (0.38) ESR1ESR2RARBRARARARG
SCHEMBL20004902 0.90 RARB (0.37) ESR1ESR2RARBRARARARG
SCHEMBL19999495 0.90 RARB (0.37) ESR1ESR2RARBRARARARG
SCHEMBL19999618 0.86 TSHR (0.46) RARBRARARARGTSHRHSD17B10
SCHEMBL19999588 0.86 RARB (0.41) RARBRARARARGMPLTSHR
SCHEMBL19999412 0.85 TSHR (0.42) RARBRARARARGTSHRHSD17B10
SCHEMBL20006753 0.85 RARB (0.37) RARBRARARARGTSHRHSD17B10
SCHEMBL20005244 0.85 RARB (0.40) RARBRARARARGTSHRHSD17B10
SCHEMBL20006711 0.85 HRH3 (0.36) RARBRARARARGMPLTSHR
SCHEMBL20004900 0.85 HRH3 (0.36) RARBRARARARGMPLTSHR

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-10208249-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-02-19 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed