SCHEMBL7833306

SCHEMBL7833306

O=C(CCCCCCc1nccc2ccccc12)NO

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.62
HDAC2 Q92769 11/20 0.62
HDAC6 Q9UBN7 10/20 0.62
HDAC3 O15379 8/20 0.62
HDAC8 Q9BY41 7/20 0.62
HDAC5 Q9UQL6 7/20 0.62
HDAC4 P56524 6/20 0.62
HDAC7 Q8WUI4 5/20 0.62
HDAC10 Q969S8 5/20 0.62
HDAC11 Q96DB2 5/20 0.62
HDAC9 Q9UKV0 5/20 0.62
ALOX5 P09917 1/20 0.56

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
SCHEMBL7829653 1.00 HDAC1 (0.62) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL8798020 0.83 CYP1A2 (0.52) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL7833535 0.83 CNR2 (0.48) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL7831579 0.83 CNR2 (0.48) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL18154032 0.82 PLAU (0.48) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL7832999 0.81 HDAC1 (0.48) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL7831162 0.81 HDAC1 (0.48) HDAC1HDAC2HDAC6HDAC3HDAC8
Bromide SCHEMBL18154039 0.81 PLAU (0.47) HDAC1HDAC2HDAC6HDAC3HDAC8
Hydrochloric Acid SCHEMBL11152119 0.81 PLAU (0.47) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL3250398 0.81 PLAU (0.50)

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