SCHEMBL7739835

SCHEMBL7739835

O=C(N[C@H](CO)C[C@H](Cc1ccccn1)C(=O)NO)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.63
MMP9 P14780 5/20 0.63
MMP12 P39900 4/20 0.63
MAPK14 Q16539 1/20 0.53
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ADAM17 P78536 1/20 0.43
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
RPS6KA4 O75676 1/20 0.41
PRKACA P17612 1/20 0.41
MAPK1 P28482 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41
PRKX P51817 1/20 0.41
ROCK1 Q13464 1/20 0.41
PRKG1 Q13976 1/20 0.41
PKN2 Q16513 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL7739828 1.00 MMP2 (0.63) MMP2MMP9MMP12MAPK14MMP13
SCHEMBL7740823 0.86 MMP2 (0.49) MMP2MMP9MMP12MAPK14MMP13
SCHEMBL7740822 0.86 MMP2 (0.49) MMP2MMP9MMP12MAPK14MMP13
SCHEMBL7739595 0.84 MMP2 (0.47) MMP2MMP9MMP12MAPK14MMP13
SCHEMBL7739599 0.84 MMP2 (0.47) MMP2MMP9MMP12MAPK14MMP13
SCHEMBL7742557 0.81 MAPK14 (0.61) MMP2MMP9MMP12MAPK14MMP13
SCHEMBL5997918 0.78 MMP2 (1.00) MMP2MMP9MMP12MAPK14MMP13
SCHEMBL5997913 0.78 MMP2 (1.00) MMP2MMP9MMP12MAPK14MMP13
SCHEMBL7734752 0.72 MMP2 (0.50) MMP2MMP9MMP12MAPK14MMP13
SCHEMBL7734755 0.72 MMP2 (0.50) MMP2MMP9MMP12MAPK14MMP13

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