SCHEMBL8777869

SCHEMBL8777869

C=CC=CC=Cc1ccccc1.N#CC=CC=CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
TNKS O95271 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
MAOB P27338 8/20 0.42
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 2/20 0.40

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
Juarezic Acid SCHEMBL15064809 0.92 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9817383 0.88 MAOB (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8948870 0.88 MAOB (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7159537 0.88 MAOB (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
Juarezic Acid SCHEMBL417723 0.88 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
Fumaric Acid SCHEMBL11411218 0.87 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
Maleic Acid SCHEMBL5709281 0.87 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
Fumaric Acid SCHEMBL11415463 0.87 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
Acrylic Acid SCHEMBL11151829 0.85 MCL1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
Juarezic Acid SCHEMBL2246623 0.85 HDAC3 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587139-B1 Heat-sensitive recording sheet MITSUBISHI PAPER MILLS LTD (JP) 1997-12-29 EP disclosed
US-5427996-A Protective surface layer composed of latex; chemical, water resistant, storage stability MITSUBISHI PAPER MILLS LIMITED (JP) 1995-06-27 US disclosed
EP-0587139-A2 Heat-sensitive recording sheet MITSUBISHI PAPER MILLS, LTD. (JP) 1994-03-16 EP disclosed