SCHEMBL7739437

SCHEMBL7739437

CCOCOCC(CC(C)C(=O)NO)NC(=O)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.53
MMP3 P08254 3/20 0.53
MMP9 P14780 6/20 0.45
MMP12 P39900 4/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
XDH P47989 1/20 0.41
MAP4K4 O95819 2/20 0.41
MINK1 Q8N4C8 2/20 0.41
TNIK Q9UKE5 2/20 0.41
MMP1 P03956 2/20 0.39
MMP7 P09237 2/20 0.39
MMP13 P45452 2/20 0.39
CTSB P07858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7742532 1.00 MMP2 (0.53) MMP2MMP3MMP9MMP12MEN1
SCHEMBL7739439 1.00 MMP2 (0.53) MMP2MMP3MMP9MMP12MEN1
SCHEMBL7741444 1.00 MMP2 (0.53) MMP2MMP3MMP9MMP12MEN1
SCHEMBL7740075 0.97 MMP2 (0.47) MMP2MMP3MMP9MMP12MEN1
SCHEMBL7740078 0.97 MMP2 (0.47) MMP2MMP3MMP9MMP12MEN1
SCHEMBL7734969 0.91 MMP2 (0.54) MMP2MMP3MMP9MMP12MEN1
SCHEMBL7734962 0.91 MMP2 (0.54) MMP2MMP3MMP9MMP12MEN1
SCHEMBL7741081 0.90 MEN1 (0.44) MMP2MMP3MEN1KMT2AXDH
SCHEMBL7741084 0.90 MEN1 (0.44) MMP2MMP3MEN1KMT2AXDH
SCHEMBL7742730 0.87 MMP2 (0.46) MMP2MMP3MMP9MMP12MEN1

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 3 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
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