SCHEMBL7829868

SCHEMBL7829868

O=C(CCCCCCc1ccc2ccccc2c1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 1.00
HDAC8 Q9BY41 6/20 1.00
HDAC2 Q92769 5/20 0.71
HDAC3 O15379 3/20 0.71
ALOX5 P09917 1/20 0.67
HDAC7 Q8WUI4 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC4 P56524 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
HCAR2 Q8TDS4 1/20 0.62

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
SCHEMBL3378763 1.00 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC3ALOX5
SCHEMBL22190341 0.94 HDAC1 (0.88) HDAC1HDAC8HDAC2HDAC3HDAC7
SCHEMBL30060248 0.94 HDAC1 (0.88) HDAC1HDAC8HDAC2HDAC3HDAC7
SCHEMBL10362477 0.87 HDAC1 (0.77) HDAC1HDAC8HDAC2HDAC3HDAC7
SCHEMBL28024994 0.85 HDAC1 (0.74) HDAC1HDAC8HDAC2HDAC3HDAC7
SCHEMBL13783995 0.83 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC3HDAC7
SCHEMBL10439619 0.83 CYP1A2 (0.87) HDAC1HDAC8HDAC2HDAC3HDAC7
SCHEMBL10439755 0.83 CYP1A2 (0.87) HDAC1HDAC8HDAC2HDAC3HDAC7
SCHEMBL8434872 0.83 CYP1A2 (0.87) HDAC1HDAC8HDAC2HDAC3HDAC7
SCHEMBL2536989 0.83 CYP1A2 (0.87) HDAC1HDAC8HDAC2HDAC3HDAC7

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