SCHEMBL7740903

SCHEMBL7740903

O=C(CCCNC(=O)c1ccc(-c2ccc(O)cc2)cc1)NO

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.81
HDAC6 Q9UBN7 15/20 0.81
HDAC2 Q92769 14/20 0.81
HDAC3 O15379 13/20 0.81
HDAC8 Q9BY41 12/20 0.81
HDAC4 P56524 11/20 0.81
HDAC7 Q8WUI4 11/20 0.81
HDAC10 Q969S8 11/20 0.81
HDAC11 Q96DB2 11/20 0.81
HDAC9 Q9UKV0 11/20 0.81
HDAC5 Q9UQL6 11/20 0.81
LTA4H P09960 1/20 0.57

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
SCHEMBL6386062 0.88 HDAC6 (0.89) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL7741107 0.87 HDAC1 (0.74) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL7741148 0.87 HDAC1 (0.81) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL7742564 0.84 MAPK1 (0.68) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL6389005 0.84 HDAC6 (0.97) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL7740489 0.83 HDAC6 (0.72) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL6386307 0.82 HDAC1 (0.89) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL6385727 0.82 HDAC6 (1.00) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL6387051 0.82 HDAC6 (1.00) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL7740874 0.82 HDAC1 (0.62) HDAC1HDAC6HDAC2HDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed