SCHEMBL6960432

SCHEMBL6960432

COc1cc(/C=C2/Oc3ccccc3C2=O)ccc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 11/20 0.74
HDAC3 O15379 3/20 0.74
HDAC4 P56524 3/20 0.74
HDAC1 Q13547 3/20 0.74
HDAC7 Q8WUI4 3/20 0.74
HDAC2 Q92769 3/20 0.74
HDAC10 Q969S8 3/20 0.74
HDAC11 Q96DB2 3/20 0.74
HDAC8 Q9BY41 3/20 0.74
HDAC6 Q9UBN7 3/20 0.74
HDAC9 Q9UKV0 3/20 0.74
HDAC5 Q9UQL6 3/20 0.74
ACHE P22303 1/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
RECQL P46063 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
AURKA O14965 1/20 0.57
PRKAB2 O43741 1/20 0.57
EGFR P00533 1/20 0.57

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
SCHEMBL6960434 1.00 STK17B (0.74) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL6966601 0.91 STK17B (0.74) STK17BHDAC3HDAC4HDAC1HDAC7
3',4'-Dimethoxy-Aurone SCHEMBL21082559 0.85 STK17B (1.00) STK17BHDAC3HDAC4HDAC1HDAC7
3',4'-Dimethoxy-Aurone SCHEMBL29898356 0.85 STK17B (1.00) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL19462965 0.84 STK17B (1.00) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL19462865 0.82 STK17B (1.00) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL29537683 0.82 STK17B (1.00) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL10921543 0.81 STK17B (0.74) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL12696424 0.80 STK17B (0.79) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL14501946 0.79 MEN1 (0.72) STK17BHDAC3HDAC4HDAC1HDAC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902022-B1 NOVEL BENZOFURANONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME DAIICHI SEIYAKU CO (JP) 2003-07-30 EP disclosed
US-6143779-A Benzofuranone derivatives and a method for producing them SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 2000-11-07 US disclosed
EP-0902022-A1 NOVEL BENZOFURANONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1999-03-17 EP disclosed