SCHEMBL8836086

SCHEMBL8836086

C=CC(=O)C1(C(=O)C=C)C=CC(c2ccccc2)C=C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.37
TGM2 P21980 1/20 0.34
GSK3B P49841 1/20 0.31
EDNRA P25101 1/20 0.31
RIPK1 Q13546 1/20 0.31
GSR P00390 1/20 0.30
HDAC4 P56524 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL316145 0.80 EDNRA (0.35) EDNRAHDAC4HDAC3HDAC7HDAC8
SCHEMBL6275799 0.77 SLC9A1 (0.36) EDNRAHDAC4HDAC3HDAC7HDAC8
SCHEMBL4608630 0.77 AKR1C3 (0.34) EDNRAHDAC4HDAC3HDAC7HDAC8
SCHEMBL5479510 0.77 POLB (0.38) EDNRAHDAC4HDAC3HDAC7HDAC8
SCHEMBL9787586 0.76 GSK3B (0.37) GSK3BEDNRAHDAC4HDAC3HDAC7
SCHEMBL8835733 0.76 THRB (0.40) AKT1TGM2EDNRA
SCHEMBL6808142 0.74 POLB (0.36) EDNRAHDAC4HDAC3HDAC7HDAC8
SCHEMBL11453583 0.72 HTT (0.41) HDAC4
SCHEMBL21173936 0.72 POLB (0.32) EDNRAHDAC4HDAC3HDAC7HDAC8
SCHEMBL7772218 0.72 ALDH1A1 (0.31)

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