SCHEMBL7740959

SCHEMBL7740959

O=C(CCCNC(=O)c1ccc(-c2cc3ccccc3o2)cc1)NO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.61
HDAC2 Q92769 10/20 0.61
HDAC6 Q9UBN7 16/20 0.58
HDAC3 O15379 9/20 0.58
HDAC10 Q969S8 9/20 0.58
HDAC8 Q9BY41 9/20 0.58
HDAC4 P56524 8/20 0.58
HDAC7 Q8WUI4 8/20 0.58
HDAC11 Q96DB2 8/20 0.58
HDAC9 Q9UKV0 8/20 0.58
HDAC5 Q9UQL6 8/20 0.58
ADCY6 O43306 1/20 0.49
ADCY3 O60266 1/20 0.49
ADCY9 O60503 1/20 0.49
ADCY5 O95622 1/20 0.49
ADCY8 P40145 1/20 0.49
GCGR P47871 1/20 0.49
ADCY7 P51828 1/20 0.49
ADCY2 Q08462 1/20 0.49
ADCY1 Q08828 1/20 0.49

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
SCHEMBL7739466 0.97 HDAC1 (0.67) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL6386992 0.96 HDAC1 (0.69) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL7740305 0.88 ADCY6 (0.57) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL8115512 0.86 HDAC6 (0.52) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL8107756 0.86 HDAC6 (0.52) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL7734900 0.83 ADCY6 (0.52) HDAC6ADCY6ADCY3ADCY9ADCY5
SCHEMBL7741345 0.82 ADCY6 (0.47) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL7734745 0.81 HDAC1 (0.90) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL7734913 0.80 HDAC6 (0.51) HDAC1HDAC2HDAC6ADCY6ADCY3
SCHEMBL7740481 0.80 MMP12 (0.50) HDAC1HDAC2HDAC6ADCY6ADCY3

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