SCHEMBL7742736

SCHEMBL7742736

Cc1ccc(C(=O)NC(CCC(=O)NO)C(=O)NCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
NFKB1 P19838 1/20 0.51
PSMB5 P28074 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HDAC6 Q9UBN7 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
CCKBR P32239 1/20 0.49
MMP1 P03956 2/20 0.48
FCER2 P06734 2/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
KDM1A O60341 4/20 0.47
MMP2 P08253 1/20 0.47
MAOA P21397 1/20 0.47
KDM1B Q8NB78 1/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47

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
SCHEMBL7742744 1.00 HDAC1 (0.52) HDAC1NFKB1PSMB5NFKB2RELA
SCHEMBL7741059 0.92 MMP2 (0.54) NFKB1PSMB5NFKB2RELAMEN1
SCHEMBL7741064 0.92 MMP2 (0.54) NFKB1PSMB5NFKB2RELAMEN1
SCHEMBL2246985 0.86 ADAMTS5 (0.59) HDAC1NFKB1PSMB5NFKB2RELA
SCHEMBL8312047 0.83 HDAC1 (0.70) HDAC1HDAC6MEN1KMT2AHDAC2
SCHEMBL13928115 0.83 HDAC1 (0.70) HDAC1HDAC6MEN1KMT2AHDAC2
SCHEMBL3588293 0.82 HSP90AA1 (0.52) HDAC6KMT2ACCKBRHDAC2HDAC8
SCHEMBL3576509 0.82 ADAMTS5 (0.62) HDAC1HDAC6CCKBRHDAC2HDAC8
SCHEMBL7740886 0.82 HDAC1 (0.46) HDAC1HDAC6MEN1KMT2AHDAC2
SCHEMBL7742778 0.82 HDAC1 (0.46) HDAC1HDAC6MEN1KMT2AHDAC2

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 2 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 disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed