SCHEMBL22914575

SCHEMBL22914575

C=CC(=O)OCCOc1ccc(/N=N/c2ccc(NNc3ccc(/N=N/c4ccc(OCCOC(=O)C=C)cc4F)cc3)cc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
PPARA Q07869 12/20 0.33
PPARD Q03181 9/20 0.33
EGFR P00533 3/20 0.32
ITK Q08881 2/20 0.32
JAK2 O60674 1/20 0.32
LYN P07948 1/20 0.32
TEC P42680 1/20 0.32
TXK P42681 1/20 0.32
BMX P51813 1/20 0.32
JAK3 P52333 1/20 0.32
BTK Q06187 1/20 0.32
CD69 Q07108 1/20 0.32
PPARG P37231 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL22914588 0.93 THRB (0.46) THRBPPARAPPARDEGFRITK
SCHEMBL22914592 0.92 THRB (0.46) THRBPPARAPPARDEGFRITK
SCHEMBL22914576 0.91 THRB (0.45) THRBPPARAPPARDPPARGMEN1
SCHEMBL22914590 0.89 THRB (0.39) THRBPPARAPPARDEGFRITK
SCHEMBL22914563 0.86 THRB (0.37) THRBPPARAPPARDEGFRITK
SCHEMBL20781156 0.83 THRB (0.52) THRBPPARAPPARDPPARGMEN1
SCHEMBL22914671 0.83 THRB (0.52) THRBPPARAPPARDPPARG
SCHEMBL20781164 0.80 THRB (0.45) THRBPPARAPPARDPPARGMEN1
SCHEMBL22914670 0.79 THRB (0.47) THRBPPARAPPARDPPARG
SCHEMBL25491768 0.78 THRB (0.45) THRBPPARAPPARDPPARGMEN1

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