SCHEMBL7274072

SCHEMBL7274072

O=C(O)CC(=O)CCCCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.67
HDAC3 O15379 3/20 0.67
HDAC4 P56524 3/20 0.67
HDAC1 Q13547 3/20 0.67
HDAC7 Q8WUI4 3/20 0.67
HDAC2 Q92769 3/20 0.67
HDAC10 Q969S8 3/20 0.67
HDAC11 Q96DB2 3/20 0.67
HDAC6 Q9UBN7 3/20 0.67
HDAC9 Q9UKV0 3/20 0.67
HDAC5 Q9UQL6 3/20 0.67
HPGD P15428 5/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
POLB P06746 1/20 0.54
ACHE P22303 4/20 0.54

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
SCHEMBL7342447 0.94 HDAC8 (0.57) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL9350109 0.87 HDAC8 (0.69) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL9899475 0.87 HDAC8 (0.69) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL3468449 0.87 HDAC8 (0.69) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL607631 0.87 HDAC8 (0.69) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL3468927 0.87 HDAC8 (0.69) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL133529 0.87 HDAC8 (0.69) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL4202491 0.87 HDAC8 (0.69) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL9130049 0.87 HDAC8 (0.69) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL31035987 0.87 HDAC8 (0.69) HDAC8HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591757-A ADRENERGIC BETA-RECEPTOR BLOCKING AGENTS AND CALCIUM ANTAGONIST YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
US-5110820-A Hypotensive agents; cardiovascular disorders YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-05-05 US disclosed
EP-0151006-B1 DIHYDROPYRIDINE COMPOUNDS, THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PRODUCING THESE COMPOSITIONS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-08-28 EP disclosed
US-5026863-A Medicinal products in racemic or enantiomorph form; calcium channel blockers. hypotensive agents, cardiovascular disorders ADIR ET COMPAGNIE (FR) 1991-06-25 US disclosed
US-4983740-A Multistep; from 2- 2-/2-chloroethoxy/ethoxy!ethanol and potassium phthalimide ADIR ET COMPAGNIE (FR) 1991-01-08 US disclosed
US-4870091-A CALCIUM CHANNEL BLOCKERS ADIR ET CIE (FR) 1989-09-26 US disclosed
EP-0151006-A2 Dihydropyridine compounds, their production, pharmaceutical compositions containing them, and methods of producing these compositions YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1985-08-07 EP disclosed