SCHEMBL7828986

SCHEMBL7828986

COc1ccc(C(CCCCC(=O)NOC(=O)c2ccccc2)C2=C(C)C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 6/20 0.37
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 1/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
HDAC2 Q92769 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
LMNA P02545 3/20 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
SCHEMBL7820438 0.99 KMT2A (0.39) KMT2AGAAL3MBTL1ALDH1A1HSP90AA1
SCHEMBL7835266 0.92 HDAC3 (0.39) KMT2AL3MBTL1ALDH1A1HDAC2HDAC3
SCHEMBL7832115 0.91 HDAC8 (0.40) KMT2AL3MBTL1ALDH1A1HDAC2HDAC3
SCHEMBL7820846 0.90 TNF (0.39) KMT2AGAAL3MBTL1ALDH1A1CNR2
SCHEMBL7821185 0.90 CNR2 (0.40) KMT2AGAAL3MBTL1ALDH1A1HSP90AA1
SCHEMBL7832521 0.89 CNR2 (0.39) KMT2AGAAL3MBTL1ALDH1A1HSP90AA1
SCHEMBL7821082 0.89 GAA (0.40) KMT2AGAAL3MBTL1ALDH1A1HSP90AA1
SCHEMBL7829740 0.89 TBXA2R (0.39) KMT2AL3MBTL1ALDH1A1HDAC2HDAC3
SCHEMBL7835427 0.88 CNR2 (0.43) KMT2AGAAALDH1A1CNR2CNR1
SCHEMBL7831395 0.88 CNR2 (0.38) KMT2AGAAL3MBTL1ALDH1A1HSP90AA1

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 6 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 claimed
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 claimed
EP-0737671-A2 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-10-16 EP claimed
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