SCHEMBL7832985

SCHEMBL7832985

O=C(CCCCCC(c1ccccc1)c1ccc2ccccc2c1O)NO

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.54
HDAC8 Q9BY41 12/20 0.54
HDAC2 Q92769 10/20 0.54
HDAC3 O15379 8/20 0.54
HDAC4 P56524 8/20 0.54
HDAC7 Q8WUI4 8/20 0.54
HDAC10 Q969S8 8/20 0.54
HDAC6 Q9UBN7 8/20 0.54
HDAC9 Q9UKV0 8/20 0.54
HDAC5 Q9UQL6 8/20 0.54
HDAC11 Q96DB2 7/20 0.54
RCE1 Q9Y256 2/20 0.46

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
SCHEMBL7833278 0.84 KDM4E (0.54) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL7833010 0.80 TNF (0.46) RCE1
SCHEMBL9510689 0.80 TBXA2R (0.56) RCE1
SCHEMBL7831129 0.76 HDAC1 (0.56) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL7834822 0.76 HDAC1 (0.57) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL7831425 0.74 HDAC1 (0.54) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL6392113 0.72 HDAC1 (0.67) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL12046891 0.71 HDAC1 (0.55) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL7832947 0.71 HDAC1 (0.48) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL7843025 0.70 HDAC1 (0.57) HDAC1HDAC8HDAC2HDAC3HDAC4

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