SCHEMBL7740823

SCHEMBL7740823

COCOC[C@H](C[C@H](Cc1ccccn1)C(=O)NO)NC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.49
MMP9 P14780 5/20 0.49
MMP12 P39900 4/20 0.49
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.39
CTSK P43235 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
SLC5A7 Q9GZV3 1/20 0.37
HDAC6 Q9UBN7 3/20 0.36
HDAC1 Q13547 2/20 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
SCHEMBL7740822 1.00 MMP2 (0.49) MMP2MMP9MMP12MAPK14ALDH1A1
SCHEMBL7739595 0.94 MMP2 (0.47) MMP2MMP9MMP12MAPK14ALDH1A1
SCHEMBL7739599 0.94 MMP2 (0.47) MMP2MMP9MMP12MAPK14ALDH1A1
SCHEMBL7734666 0.87 MMP2 (0.54) MMP2MMP9MMP12MMP13ADAM17
SCHEMBL7741137 0.87 MMP2 (0.54) MMP2MMP9MMP12MMP13ADAM17
SCHEMBL7740533 0.87 MMP2 (0.54) MMP2MMP9MMP12MMP13ADAM17
SCHEMBL7734671 0.87 MMP2 (0.54) MMP2MMP9MMP12MMP13ADAM17
SCHEMBL7734755 0.87 MMP2 (0.50) MMP2MMP9MMP12MAPK14MMP13
SCHEMBL7734752 0.87 MMP2 (0.50) MMP2MMP9MMP12MAPK14MMP13
SCHEMBL7739835 0.86 MMP2 (0.63) MMP2MMP9MMP12MAPK14ALDH1A1

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