SCHEMBL7740899

SCHEMBL7740899

CCOCOC[C@H](C[C@H](CO)C(=O)NO)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
MMP2 P08253 4/20 0.41
MMP9 P14780 4/20 0.41
MMP12 P39900 4/20 0.41
ROCK2 O75116 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
IRAK1 P51617 1/20 0.38
PRKX P51817 1/20 0.38
LIMK1 P53667 1/20 0.38
PRKG2 Q13237 1/20 0.38
ROCK1 Q13464 1/20 0.38
PRKG1 Q13976 1/20 0.38
PKN2 Q16513 1/20 0.38
HIPK4 Q8NE63 1/20 0.38
AURKB Q96GD4 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAS1R3 Q7RTX0 3/20 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
SCHEMBL7740891 1.00 HTT (0.48) HTTMMP2MMP9MMP12ROCK2
SCHEMBL6300364 0.91 HTT (0.47) HTTMMP2MMP9MMP12SMN1; SMN2
SCHEMBL7742616 0.91 HTT (0.47) HTTMMP2MMP9MMP12SMN1; SMN2
SCHEMBL6300358 0.91 HTT (0.47) HTTMMP2MMP9MMP12SMN1; SMN2
SCHEMBL7740746 0.88 HTT (0.44) HTTMMP2MMP9MMP12ROCK2
SCHEMBL7742634 0.88 HTT (0.44) HTTMMP2MMP9MMP12SMN1; SMN2
SCHEMBL7740748 0.88 HTT (0.44) HTTMMP2MMP9MMP12ROCK2
SCHEMBL7734841 0.88 HTT (0.44) HTTMMP2MMP9MMP12SMN1; SMN2
SCHEMBL7734846 0.88 HTT (0.44) HTTMMP2MMP9MMP12SMN1; SMN2
SCHEMBL7742629 0.88 HTT (0.44) HTTMMP2MMP9MMP12SMN1; SMN2

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