SCHEMBL7833301

SCHEMBL7833301

CC(=O)ONC(=O)CCCCC(C1=C(C)C(=O)c2ccccc2C1=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDC25B P30305 2/20 0.36

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
SCHEMBL7821185 0.92 CNR2 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7831731 0.91 HDAC2 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7821069 0.89 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7835266 0.89 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7832718 0.88 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7832115 0.88 HDAC8 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7831219 0.86 HDAC2 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7832288 0.86 MAPT (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7832551 0.84 HDAC1 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7820846 0.83 TNF (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6

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-0737671-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5804601-A USEFUL FOR TREATING ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, BACTERIAL OR VIRAL MENINGITIS, DOWN'S SYNDROME AND PARKINSON'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-08 US disclosed
EP-0737671-A2 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-10-16 EP disclosed