SCHEMBL7739595

SCHEMBL7739595

COCCOCOCC(CC(Cc1ccccn1)C(=O)NO)NC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.47
MMP9 P14780 5/20 0.47
MMP12 P39900 4/20 0.47
MAPK14 Q16539 1/20 0.45
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP13 P45452 2/20 0.39
ADAM17 P78536 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE10A Q9Y233 1/20 0.36
CTSK P43235 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
SLC5A7 Q9GZV3 1/20 0.35

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
SCHEMBL7739599 1.00 MMP2 (0.47) MMP2MMP9MMP12MAPK14ALDH1A1
SCHEMBL7740822 0.94 MMP2 (0.49) MMP2MMP9MMP12MAPK14ALDH1A1
SCHEMBL7740823 0.94 MMP2 (0.49) MMP2MMP9MMP12MAPK14ALDH1A1
SCHEMBL7734955 0.86 MMP2 (0.53) MMP2MMP9MMP12MMP13ADAM17
SCHEMBL7734951 0.86 MMP2 (0.53) MMP2MMP9MMP12MMP13ADAM17
SCHEMBL7739835 0.84 MMP2 (0.63) MMP2MMP9MMP12MAPK14ALDH1A1
SCHEMBL7739828 0.84 MMP2 (0.63) MMP2MMP9MMP12MAPK14ALDH1A1
SCHEMBL6298105 0.83 MMP2 (0.54) MMP2MMP9MMP12MMP13ADAM17
SCHEMBL6298106 0.83 MMP2 (0.54) MMP2MMP9MMP12MMP13ADAM17
SCHEMBL5998713 0.82 MMP2 (0.69) MMP2MMP9MMP12ALDH1A1MMP13

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