SCHEMBL7740489

SCHEMBL7740489

COc1ccc(-c2ccc(C(=O)NCCCC(=O)NO)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.72
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
HDAC1 Q13547 13/20 0.64
HDAC8 Q9BY41 4/20 0.64
HDAC3 O15379 3/20 0.64
HDAC2 Q92769 3/20 0.64
HDAC4 P56524 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL6387101 0.95 HDAC6 (0.80) HDAC6NPC1RAB9AHDAC1HDAC8
SCHEMBL7741033 0.92 HDAC6 (0.72) HDAC6NPC1RAB9AHDAC1HDAC8
SCHEMBL1232503 0.92 HDAC6 (0.83) HDAC6NPC1RAB9AHDAC1HDAC8
SCHEMBL1233091 0.90 HDAC6 (0.86) HDAC6NPC1RAB9AHDAC1HDAC8
SCHEMBL6390281 0.87 HDAC6 (0.80) HDAC6NPC1RAB9AHDAC1HDAC8
SCHEMBL7741129 0.86 NPC1 (0.70) HDAC6NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8119383 0.84 HDAC6 (0.72) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2226681 0.84 HDAC6 (1.00) HDAC6NPC1RAB9AHDAC1HDAC8
SCHEMBL7740903 0.83 HDAC1 (0.81) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL6386062 0.83 HDAC6 (0.89) HDAC6HDAC1HDAC8HDAC3HDAC2

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