SCHEMBL7740183

SCHEMBL7740183

Cc1ccc(C#Cc2coc(C(=O)NCCCC(=O)NO)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.46
HDAC2 Q92769 14/20 0.46
HDAC6 Q9UBN7 13/20 0.46
HDAC3 O15379 11/20 0.46
HDAC10 Q969S8 10/20 0.46
HDAC11 Q96DB2 10/20 0.46
HDAC8 Q9BY41 10/20 0.46
HDAC4 P56524 9/20 0.46
HDAC7 Q8WUI4 9/20 0.46
HDAC9 Q9UKV0 9/20 0.46
HDAC5 Q9UQL6 9/20 0.46
NCOR2 Q9Y618 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7742630 0.88 FFAR1 (0.49) CYP1A2CYP3A4APEX1CYP2C19
SCHEMBL7734972 0.82 HDAC1 (0.58) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL7739401 0.73 HDAC1 (0.67) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL7734761 0.71 HDAC1 (0.54) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL7740826 0.69 MAPK1 (0.60) CYP1A2CYP2C19
SCHEMBL15800169 0.68 HDAC6 (0.76) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL6138857 0.67 HDAC1 (0.52) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL31244244 0.67 ALDH1A1 (0.37) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL6138979 0.67 HDAC1 (0.52) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL31244173 0.66 ALDH1A1 (0.38) HDAC1HDAC2HDAC6HDAC3HDAC10

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