SCHEMBL7734972

SCHEMBL7734972

Cc1ccc(C#Cc2ccc(C(=O)NCCCC(=O)NO)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.58
HDAC3 O15379 14/20 0.58
HDAC2 Q92769 14/20 0.58
HDAC6 Q9UBN7 15/20 0.57
HDAC4 P56524 12/20 0.57
HDAC7 Q8WUI4 12/20 0.57
HDAC10 Q969S8 12/20 0.57
HDAC11 Q96DB2 12/20 0.57
HDAC8 Q9BY41 12/20 0.57
HDAC9 Q9UKV0 12/20 0.57
HDAC5 Q9UQL6 12/20 0.57
LTA4H P09960 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL7739401 0.92 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7740826 0.86 MAPK1 (0.60) L3MBTL1
SCHEMBL15800169 0.86 HDAC6 (0.76) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7740594 0.82 HDAC3 (0.53) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7740183 0.82 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7734911 0.81 MMP2 (0.53) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7735115 0.78 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL6390393 0.78 HDAC6 (0.60) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL13786379 0.77 HDAC3 (0.91) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7740883 0.77 HDAC6 (0.59) HDAC1HDAC3HDAC2HDAC6HDAC4

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