SCHEMBL11323924

SCHEMBL11323924

COc1ccc(C(=O)COCC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.66
HDAC4 P56524 2/20 0.66
HDAC1 Q13547 2/20 0.66
HDAC7 Q8WUI4 2/20 0.66
HDAC2 Q92769 2/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC11 Q96DB2 2/20 0.66
HDAC8 Q9BY41 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
HDAC9 Q9UKV0 2/20 0.66
HDAC5 Q9UQL6 2/20 0.66
GSK3B P49841 1/20 0.66
ESR2 Q92731 1/20 0.62
MAPT P10636 2/20 0.59
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
PDE4B Q07343 1/20 0.58
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
ALDH1A1 P00352 2/20 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
SCHEMBL28691916 0.90 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL246263 0.88 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7646419 0.87 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21100591 0.86 MAPT (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11041176 0.86 GSK3B (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28697442 0.86 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27420868 0.86 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1968295 0.84 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9653413 0.83 NPC1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28843419 0.83 GSK3B (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4292151-A MELT SPINNING THE BLOCK POLYMER WITH AN UNSATURATED COMPOUND; CURING WITH ACTINIC RADIATION TEIJIN LIMITED (JP) 1981-09-29 US disclosed
US-4269947-A AN AROMATIC DICARBOXYLIC ACID-ACYCLIC GLYCOL-BASED POLYESTER MODIFIED BY AN EPOXY-CONTAINING COMPOUND; IMPROVED PROPERTIES; FILMS AND FIBERS TEIJIN LIMITED (JP) 1981-05-26 US disclosed
US-4256558-A EXTRUSION OF A BLEND OF POLYETHYLENE TEREPHTHALATE AND A DIALLYL COMPOUND FOLLOWED BY RADIATION CURING; FILMS AND FILAMENTS HAVING GOOD HEAT RESISTANCE AND PHOTOSTABILITY TEIJIN LIMITED (JP) 1981-03-17 US disclosed
US-4196066-A UNSATURATED EPOXIDE TEIJIN LIMITED (JP) 1980-04-01 US disclosed