SCHEMBL7821082

SCHEMBL7821082

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
HTR7 P34969 2/20 0.36
HTR6 P50406 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 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
SCHEMBL7835427 0.92 CNR2 (0.43) GAAALDH1A1KMT2AMEN1CNR2
SCHEMBL7821185 0.90 CNR2 (0.40) GAAALDH1A1KMT2AMEN1CNR2
SCHEMBL7820846 0.90 TNF (0.39) GAAALDH1A1KMT2AMEN1CNR2
SCHEMBL7832521 0.89 CNR2 (0.39) GAAALDH1A1KMT2AMEN1CNR2
SCHEMBL7828986 0.89 KMT2A (0.39) GAAALDH1A1KMT2AMEN1CNR2
SCHEMBL7820585 0.88 KMT2A (0.41) GAAALDH1A1KMT2AMEN1CNR2
SCHEMBL7831395 0.88 CNR2 (0.38) GAAALDH1A1KMT2AMEN1CNR2
SCHEMBL7820438 0.88 KMT2A (0.39) GAAALDH1A1KMT2ACNR2CNR1
SCHEMBL7833554 0.87 CNR2 (0.38) GAAALDH1A1KMT2ACNR2CNR1
SCHEMBL7820480 0.87 MMP1 (0.39) GAAALDH1A1KMT2ACNR2CNR1

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