SCHEMBL7734658

SCHEMBL7734658

O=C(CCCNC(=O)c1ccc(C=Cc2ccc(Cl)cc2)cc1)NO

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.77
HDAC3 O15379 12/20 0.77
HDAC2 Q92769 12/20 0.77
HDAC6 Q9UBN7 11/20 0.77
HDAC4 P56524 10/20 0.77
HDAC7 Q8WUI4 10/20 0.77
HDAC10 Q969S8 10/20 0.77
HDAC11 Q96DB2 10/20 0.77
HDAC8 Q9BY41 10/20 0.77
HDAC9 Q9UKV0 10/20 0.77
HDAC5 Q9UQL6 10/20 0.77
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
LTA4H P09960 1/20 0.53

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
SCHEMBL7734655 1.00 HDAC1 (0.77) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7741148 0.89 HDAC1 (0.81) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL13039729 0.88 HDAC6 (0.97) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7742552 0.87 MAPK1 (0.60) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7742550 0.87 MAPK1 (0.60) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL13039735 0.87 HDAC6 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL6386307 0.84 HDAC1 (0.89) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL6384647 0.83 HDAC1 (0.92) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL6386067 0.83 HDAC1 (0.92) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7740967 0.81 HDAC1 (0.52) 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