SCHEMBL7740477

SCHEMBL7740477

O=C(CCCNC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1)NO

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.93
HDAC2 Q92769 10/20 0.93
HDAC3 O15379 7/20 0.66
HDAC4 P56524 5/20 0.66
HDAC7 Q8WUI4 5/20 0.66
HDAC10 Q969S8 5/20 0.66
HDAC11 Q96DB2 5/20 0.66
HDAC8 Q9BY41 5/20 0.66
HDAC6 Q9UBN7 5/20 0.66
HDAC9 Q9UKV0 5/20 0.66
HDAC5 Q9UQL6 5/20 0.66
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
SRD5A2 P31213 1/20 0.62
HSD17B10 Q99714 1/20 0.62
PDGFRB P09619 1/20 0.59
PDGFRA P16234 1/20 0.59

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
SCHEMBL7739589 0.91 HDAC1 (0.77) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7374830 0.82 HDAC1 (0.75) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5114489 0.80 KDM4E (0.75) HDAC1HDAC2KDM4EALDH1A1CYP1A2
SCHEMBL7734896 0.78 HDAC6 (0.91) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL630515 0.78 SRD5A2 (1.00) HDAC1HDAC2KDM4EALDH1A1CYP1A2
SCHEMBL7097103 0.78 KDM4E (0.65) HDAC1HDAC2KDM4EALDH1A1CYP1A2
SCHEMBL18733286 0.77 KDM4E (0.79) HDAC1HDAC2KDM4EALDH1A1CYP1A2
SCHEMBL13039731 0.77 HDAC1 (0.97) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12672868 0.76 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6599162 0.76 KDM4E (0.77) HDAC1HDAC2HDAC6KDM4EALDH1A1

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