SCHEMBL7740874

SCHEMBL7740874

CCCc1ccc(-c2ccc(C(=O)NCCCC(=O)NO)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.62
HDAC3 O15379 14/20 0.62
HDAC2 Q92769 14/20 0.62
HDAC6 Q9UBN7 13/20 0.62
HDAC4 P56524 11/20 0.62
HDAC7 Q8WUI4 11/20 0.62
HDAC10 Q969S8 11/20 0.62
HDAC11 Q96DB2 11/20 0.62
HDAC8 Q9BY41 11/20 0.62
HDAC9 Q9UKV0 11/20 0.62
HDAC5 Q9UQL6 11/20 0.62
LTA4H P09960 1/20 0.54
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL6386567 0.95 HDAC6 (0.70) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7739857 0.91 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7741153 0.89 HDAC3 (0.59) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7741009 0.86 MAPK1 (0.59) HDAC3TMEM97SIGMAR1
SCHEMBL7740903 0.82 HDAC1 (0.81) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL6386062 0.82 HDAC6 (0.89) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL10950073 0.81 PLK1 (0.64) HDAC1HDAC3HDAC2TMEM97SIGMAR1
SCHEMBL7741148 0.81 HDAC1 (0.81) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2402306 0.81 HRH3 (0.59) HDAC3TMEM97SIGMAR1
SCHEMBL7740489 0.80 HDAC6 (0.72) 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