SCHEMBL7740967

SCHEMBL7740967

O=C(CCCNC(=O)c1ccc(/C=C/c2ccc(Cl)cc2)o1)NO

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.52
HDAC4 P56524 10/20 0.52
HDAC6 Q9UBN7 7/20 0.52
HDAC2 Q92769 6/20 0.52
HDAC3 O15379 5/20 0.52
HDAC7 Q8WUI4 5/20 0.52
HDAC10 Q969S8 5/20 0.52
HDAC11 Q96DB2 5/20 0.52
HDAC8 Q9BY41 5/20 0.52
HDAC9 Q9UKV0 5/20 0.52
HDAC5 Q9UQL6 5/20 0.52
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7740969 1.00 HDAC1 (0.52) HDAC1HDAC4HDAC6HDAC2HDAC3
SCHEMBL7740786 0.89 HDAC4 (0.50) HDAC1HDAC4RAB9AALDH1A1MAPT
SCHEMBL7740783 0.89 HDAC4 (0.50) HDAC1HDAC4RAB9AALDH1A1MAPT
SCHEMBL7734655 0.81 HDAC1 (0.77) HDAC1HDAC4HDAC6HDAC2HDAC3
SCHEMBL7734658 0.81 HDAC1 (0.77) HDAC1HDAC4HDAC6HDAC2HDAC3
SCHEMBL22046139 0.73 HDAC4 (0.62) HDAC1HDAC4HPGD
SCHEMBL1233525 0.72 HDAC1 (0.69) HDAC1HDAC4HDAC6HDAC2HDAC3
SCHEMBL7734761 0.71 HDAC1 (0.54) HDAC1HDAC4HDAC6HDAC2HDAC3
SCHEMBL13786377 0.71 HDAC1 (0.54) HDAC1HDAC4HDAC6HDAC2HDAC3
SCHEMBL7741148 0.71 HDAC1 (0.81) HDAC1HDAC4HDAC6HDAC2HDAC3

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 3 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
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