SCHEMBL13263302

SCHEMBL13263302

CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C5CO5)c(F)c4F)cc3)c(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.48
RARA P10276 2/20 0.46
RARG P13631 1/20 0.46
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MPL P40238 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MTOR P42345 1/20 0.34
KMT2A Q03164 1/20 0.34
SPHK2 Q9NRA0 4/20 0.34
SPHK1 Q9NYA1 3/20 0.34

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
SCHEMBL10153203 0.92 RARB (0.38) RARBRARARARGMPLHSD17B10
SCHEMBL12719942 0.85 RARB (0.39) RARBRARARARGTHRATHRB
SCHEMBL12907934 0.85 RARB (0.37) RARBMPLHSD17B10
SCHEMBL3582636 0.84 MPL (0.35) RARBTHRATHRBMPL
SCHEMBL9015779 0.83 RARB (0.33) RARBRARARARGMPL
SCHEMBL3582651 0.83 MPL (0.36) RARBTHRATHRBMPL
SCHEMBL14175167 0.82 RARB (0.66) RARBRARARARGHRH3TSHR
SCHEMBL9015903 0.81 NAAA (0.30)
SCHEMBL10005521 0.80 RARB (0.61) RARBRARARARGMPLTSHR
SCHEMBL14175166 0.80 RARB (0.64) RARBRARARARGHRH3MPL

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-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP disclosed