SCHEMBL7412271

SCHEMBL7412271

O=C(CNC(=O)c1ccccc1)NO

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.73
GAA P10253 1/20 0.61
HDAC6 Q9UBN7 5/20 0.60
HDAC1 Q13547 4/20 0.60
HDAC2 Q92769 4/20 0.60
HDAC8 Q9BY41 4/20 0.60
HDAC3 O15379 3/20 0.60
HDAC7 Q8WUI4 3/20 0.60
HDAC4 P56524 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
IDO1 P14902 1/20 0.59
ALOX15 P16050 1/20 0.59
CA9 Q16790 1/20 0.59
HSD17B10 Q99714 1/20 0.59
NCOR2 Q9Y618 1/20 0.59

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
SCHEMBL12837391 0.85 MMP1 (0.64) MMP1
SCHEMBL7293621 0.82 KDM4E (0.59) MMP1GAACA1GPR139SLC6A9
SCHEMBL10154034 0.82 GPR139 (0.61) MMP1GAAHDAC6HDAC1HDAC4
SCHEMBL7674509 0.82 GAA (0.59) MMP1GAAGPR139SLC6A9SLC6A5
SCHEMBL4928682 0.82 MMP1 (0.61) MMP1HDAC6HDAC1HDAC2HDAC8
SCHEMBL7515133 0.82 KDM4E (0.59) MMP1GAACA1GPR139SLC6A9
Hippuric Acid SCHEMBL7486 0.81 GAA (0.68) GAAHDAC6HDAC1HDAC2HDAC8
SCHEMBL22030672 0.81 GAA (0.68) GAAHDAC6HDAC1HDAC2HDAC8
Hippuric Acid SCHEMBL428479 0.81 GAA (0.68) GAAHDAC6HDAC1HDAC2HDAC8
Benurestat SCHEMBL635899 0.81 MMP1 (0.82) MMP1GAAHDAC6HDAC1HDAC2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218389-B1 FOR THERAPY AND PROPHYLAXIS OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS; SKIN DISORDERS; OCULAR DISORDERS; INFLAMMATION AND GUM DISEASES, MULTIPLE SCLEROSIS, CACHEXIA, PREVENTING LOOSENING OF PROSTHETIC DEVICES THE PROCTER & GAMBLE CO. 2001-04-17 US disclosed
CN-1265647-A Acyclic metalloprotease inhibitors PROCTER & GAMBLE (US) 2000-09-06 CN disclosed
EP-1009737-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-06-21 EP disclosed
WO-1999006340-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 WO disclosed
US-3728380-A P-CHLOROBENZAMIDOACETOHYDROXAMIC ACID NORWICH EATON PHARMACEUTICALS, INC., A CORP. OF OH 1973-04-17 US disclosed