SCHEMBL7740668

SCHEMBL7740668

O=C(CCCNC(=O)c1ccc(N2CCC(c3ccccc3)CC2)cc1)NO

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.55
HDAC1 Q13547 7/20 0.54
HDAC3 O15379 6/20 0.54
HDAC8 Q9BY41 5/20 0.54
HDAC4 P56524 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
KDM1A O60341 1/20 0.51
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4556063 0.83 HDAC1 (0.62) HDAC6HDAC1HDAC8DRD2ALDH1A1
SCHEMBL7741140 0.80 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL7740724 0.79 HDAC1 (0.60) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL13039738 0.78 HDAC1 (0.70) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL13039733 0.78 HDAC1 (0.70) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL13039739 0.77 HDAC1 (0.73) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL13039732 0.77 HDAC6 (0.68) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL6386847 0.77 HDAC6 (0.88) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL7734863 0.77 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL13039740 0.76 HDAC6 (0.70) HDAC6HDAC1HDAC3HDAC8HDAC4

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