SCHEMBL8835528

SCHEMBL8835528

C=CC(=O)Oc1ccc(C=Cc2ccccc2)c(CCCCC)c1CCCCC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.55
THRA P10827 5/20 0.55
NCEH1 Q6PIU2 2/20 0.41
EGFR P00533 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
HDAC3 O15379 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TYMS P04818 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 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
SCHEMBL8835774 0.99 THRB (0.57) THRBTHRANCEH1EGFRCYSLTR2
SCHEMBL8836156 0.97 THRB (0.50) THRBTHRANCEH1EGFRHDAC3
SCHEMBL8835754 0.92 THRB (0.46) THRBTHRANCEH1CTDSP1TYMS
SCHEMBL2583724 0.91 THRB (0.56) THRBTHRANCEH1MEN1KMT2A
SCHEMBL2575002 0.90 THRB (0.55) THRBTHRANCEH1MEN1KMT2A
SCHEMBL2577935 0.87 THRB (0.51) THRBTHRANCEH1MEN1KMT2A
SCHEMBL28065394 0.85 THRB (0.54) THRBTHRAEGFRCYSLTR2CYSLTR1
SCHEMBL8835907 0.84 THRB (0.42) THRBTHRANCEH1CTDSP1KMT2A
SCHEMBL8836105 0.82 THRB (0.43) THRBTHRAEGFRCYSLTR2CYSLTR1
SCHEMBL2579023 0.82 THRB (0.53) THRBTHRANCEH1TYMSMEN1

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-5674576-A A LIGHT MODULATING LAYER COMPOSED OF LIQUID CRYSTAL AND HIGH POLYMER RESIN IS SANDWHICHED BETWEEN TWO SUBSTRATES HAVING ELECTRODE LAYERS, MONOMERS ARE OF(METH)ACRYLOYL COMPOUNDS WITH STIBENE OR (METH)ACRYLOYL WITH DIOXANE OR DIOXOLANES NEC CORPORATION (JP) 1997-10-07 US disclosed