SCHEMBL7734698

SCHEMBL7734698

COCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
MMP12 P39900 4/20 0.48
HTT P42858 1/20 0.45
ROCK2 O75116 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
IRAK1 P51617 1/20 0.40
PRKX P51817 1/20 0.40
LIMK1 P53667 1/20 0.40
PRKG2 Q13237 1/20 0.40
ROCK1 Q13464 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN2 Q16513 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
AURKB Q96GD4 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CSNK1G1 Q9HCP0 1/20 0.40
UTS2R Q9UKP6 7/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL7734696 1.00 MMP2 (0.48) MMP2MMP9MMP12HTTROCK2
SCHEMBL7741003 0.97 MMP2 (0.51) MMP2MMP9MMP12HTTUTS2R
SCHEMBL7741007 0.97 MMP2 (0.51) MMP2MMP9MMP12HTTUTS2R
SCHEMBL7734801 0.92 MMP2 (0.47) MMP2MMP9MMP12HTTPOLB
SCHEMBL7734795 0.92 MMP2 (0.47) MMP2MMP9MMP12HTTPOLB
SCHEMBL7734798 0.92 MMP2 (0.47) MMP2MMP9MMP12HTTPOLB
SCHEMBL7740015 0.90 MMP2 (0.57) MMP2MMP9MMP12
SCHEMBL7740017 0.90 MMP2 (0.57) MMP2MMP9MMP12
SCHEMBL7742668 0.89 MMP2 (0.48) MMP2MMP9MMP12HTTUTS2R
SCHEMBL7742658 0.89 MMP2 (0.48) MMP2MMP9MMP12HTTUTS2R

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
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