SCHEMBL6914448

SCHEMBL6914448

CCCCCc1ccc(-c2c(OC(=O)O)ccc(F)c2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.50
RARA P10276 2/20 0.50
RARG P13631 1/20 0.50
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
THRB P10828 3/20 0.42
THRA P10827 2/20 0.40
FAAH O00519 1/20 0.40
PLK1 P53350 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39

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
SCHEMBL9800819 0.81 MGLL (0.40) RARBRARARARGALDH1A1MEN1
SCHEMBL6914445 0.81 RARB (0.67) RARBRARARARGALDH1A1MEN1
SCHEMBL28441247 0.78 RARB (0.50) RARBRARARARGALDH1A1MEN1
SCHEMBL9406257 0.76 THRB (0.49) RARBRARAALDH1A1MEN1MAPT
SCHEMBL6557444 0.74 RARB (0.55) RARBRARARARGALDH1A1MEN1
SCHEMBL10971759 0.74 RARB (0.64) RARBRARARARGALDH1A1MEN1
SCHEMBL9225302 0.74 RARB (0.51) RARBRARARARGALDH1A1MEN1
SCHEMBL235804 0.74 RARB (0.52) RARBRARARARGALDH1A1MEN1
SCHEMBL9221668 0.73 RARB (0.53) RARBRARARARGALDH1A1MEN1
SCHEMBL237038 0.73 RARB (0.54) RARBRARARARGALDH1A1MEN1

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
EP-1223210-B1 Polyfluorinated fluorenes and use thereof in liquid crystal mixtures CLARIANT INT LTD (CH) 2004-03-03 EP disclosed
EP-1223210-A1 Polyfluorinated fluorenes and use thereof in liquid crystal mixtures CLARIANT INTERNATIONAL LTD. (CH) 2002-07-17 EP disclosed