SCHEMBL7443883

SCHEMBL7443883

CC(=O)CCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.65
HDAC3 O15379 3/20 0.65
HDAC4 P56524 3/20 0.65
HDAC1 Q13547 3/20 0.65
HDAC7 Q8WUI4 3/20 0.65
HDAC2 Q92769 3/20 0.65
HDAC10 Q969S8 3/20 0.65
HDAC11 Q96DB2 3/20 0.65
HDAC6 Q9UBN7 3/20 0.65
HDAC9 Q9UKV0 3/20 0.65
HDAC5 Q9UQL6 3/20 0.65
KMT2A Q03164 2/20 0.62
HPGD P15428 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ACHE P22303 1/20 0.54
MEN1 O00255 1/20 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
SCHEMBL10913404 0.98 HDAC8 (0.68) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL10495286 0.98 HDAC8 (0.68) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL29740524 0.95 ALDH1A1 (0.59) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL2084857 0.95 ALDH1A1 (0.59) HDAC8HDAC3HDAC4HDAC1HDAC7
Ethylene SCHEMBL9101813 0.92 ALDH1A1 (0.56) HDAC8HDAC3HDAC4HDAC1HDAC7
Ethylene Glycol SCHEMBL7141967 0.90 ALDH1A1 (0.55) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL10655522 0.88 HDAC8 (0.62) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL133683 0.87 KMT2A (0.59) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL15500771 0.85 ALDH1A1 (0.71) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1795851 0.84 HDAC8 (0.67) 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
EP-2796140-A2 Stabilized Sulforaphane Pharmagra Labs, Inc. (US) 2014-10-29 EP disclosed
EP-0511271-A1 THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1992-11-04 EP disclosed
EP-0511270-A1 NEW THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1992-11-04 EP disclosed
WO-1991010656-A1 THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1991-07-25 WO disclosed
WO-1991010657-A1 NEW THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1991-07-25 WO disclosed
US-RE32868-E Antihyperlipidemic compositions RESEARCH CORPORATION (US) 1989-02-14 US disclosed
US-4395417-A Antihyperlipidemic compositions RESEARCH CORPORATION (US) 1983-07-26 US disclosed