SCHEMBL7821069

SCHEMBL7821069

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPT P10636 1/20 0.36
PTPRC P08575 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN13 Q12923 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
ASAH1 Q13510 2/20 0.35
MAP2K7 O14733 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ACER2 Q5QJU3 1/20 0.34

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
SCHEMBL7832718 0.99 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7832288 0.97 MAPT (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7820581 0.92 TBXA2R (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7832521 0.92 CNR2 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7829363 0.92 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7831395 0.91 CNR2 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7833301 0.89 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7835266 0.87 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7831219 0.87 HDAC2 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7832115 0.86 HDAC8 (0.40) 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