SCHEMBL22914671

SCHEMBL22914671

C=CC(=O)OCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(OCCOC(=O)C=C)cc4)cc3F)c(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.52
PPARA Q07869 15/20 0.38
PPARD Q03181 12/20 0.37
PPARG P37231 5/20 0.37
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CTRC Q99895 1/20 0.35

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
SCHEMBL22914670 0.94 THRB (0.47) THRBPPARAPPARDPPARG
SCHEMBL22914597 0.92 THRB (0.44) THRBTP53TSHR
SCHEMBL22914607 0.91 THRB (0.44) THRBPPARAPPARDPPARGHIF1A
SCHEMBL22914576 0.90 THRB (0.45) THRBPPARAPPARDPPARG
SCHEMBL22914588 0.89 THRB (0.46) THRBPPARAPPARDPPARGCTRC
SCHEMBL22914592 0.89 THRB (0.46) THRBPPARAPPARDPPARGCTRC
SCHEMBL22914574 0.89 THRB (0.42) THRBPPARAPPARDPPARG
SCHEMBL22914566 0.88 THRB (0.41) THRBPPARAPPARDPPARGCTRC
SCHEMBL13655364 0.86 THRB (0.69) THRBPPARAPPARDPPARGALDH1A1
SCHEMBL20781156 0.86 THRB (0.52) THRBPPARAPPARDPPARGALDH1A1

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
WO-2021014856-A1 COMPOSITION, FILM, LAMINATE, AND DISPLAY DEVICE 住友化学株式会社 2021-01-28 WO disclosed