SCHEMBL8723332

SCHEMBL8723332

C=CC(=O)OCCCOc1ccc(C#N)c(OC(=O)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
FABP7 O15540 2/20 0.38
FABP3 P05413 2/20 0.38
FABP5 Q01469 2/20 0.38
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
CASP1 P29466 1/20 0.35
MMP2 P08253 1/20 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
SCHEMBL8728000 0.98 THRB (0.43) THRBPPARGPPARDPPARAFABP7
SCHEMBL8729334 0.97 THRB (0.42) THRBPPARGPPARDPPARAFABP7
SCHEMBL8729288 0.97 THRB (0.42) THRBPPARGPPARDPPARAFABP7
SCHEMBL8724515 0.97 THRB (0.42) THRBPPARGPPARDPPARAFABP7
SCHEMBL8728018 0.97 THRB (0.42) THRBPPARGPPARDPPARAFABP7
SCHEMBL8729361 0.97 THRB (0.42) THRBPPARGPPARDPPARAFABP7
SCHEMBL8728023 0.97 THRB (0.42) THRBPPARGPPARDPPARAFABP7
SCHEMBL8724323 0.97 THRB (0.42) THRBPPARGPPARDPPARAFABP7
SCHEMBL8728206 0.97 THRB (0.42) THRBPPARGPPARDPPARAFABP7
SCHEMBL8723330 0.89 THRB (0.45) THRBALDH1A1MEN1KMT2ANPC1

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
US-5800733-A Photo cross-linkable liquid crystal derivatives ROLIC AG (CH) 1998-09-01 US disclosed