SCHEMBL7274059

SCHEMBL7274059

CC(=O)C(CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.55
HDAC7 Q8WUI4 5/20 0.55
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HDAC8 Q9BY41 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAOB P27338 3/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL7342436 0.88 MMP2 (0.52) SMN1; SMN2ALDH1A1
SCHEMBL10914406 0.85 HDAC1 (0.47) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL10928482 0.83 HDAC7 (0.56) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL11481918 0.82 HDAC1 (0.58) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL7342937 0.82 HDAC1 (0.52) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL21316650 0.81 HDAC1 (0.56) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL10666776 0.81 HDAC1 (0.56) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL13686537 0.81 HDAC1 (0.53) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL10667117 0.81 HDAC1 (0.56) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL11686163 0.81 HDAC1 (0.59) HDAC1HDAC7TDP1L3MBTL1HDAC8

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-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
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