SCHEMBL7734896

SCHEMBL7734896

O=C(CCCNC(=O)c1ccc(OCc2ccccc2)cc1)NO

nearest known ligand 0.91

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.91
HDAC1 Q13547 8/20 0.91
HDAC2 Q92769 8/20 0.91
HDAC3 O15379 7/20 0.91
HDAC4 P56524 6/20 0.91
HDAC7 Q8WUI4 6/20 0.91
HDAC10 Q969S8 6/20 0.91
HDAC11 Q96DB2 6/20 0.91
HDAC8 Q9BY41 6/20 0.91
HDAC9 Q9UKV0 6/20 0.91
HDAC5 Q9UQL6 6/20 0.91
SPHK2 Q9NRA0 2/20 0.56
SPHK1 Q9NYA1 1/20 0.56
NCOR2 Q9Y618 1/20 0.55
LTA4H P09960 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 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
SCHEMBL7740546 0.84 MMP1 (0.70) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL18614948 0.84 HDAC3 (0.70) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL7285707 0.84 HDAC3 (0.70) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL18614936 0.83 SPHK2 (0.69) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL6386847 0.82 HDAC6 (0.88) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL6716502 0.81 MEN1 (0.79) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL7296744 0.81 SPHK2 (0.80) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL8119383 0.81 HDAC6 (0.72) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL7742610 0.81 MMP1 (0.73) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL10289219 0.80 HDAC3 (0.78) HDAC6HDAC1HDAC2HDAC3HDAC4

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