SCHEMBL7739869

SCHEMBL7739869

CCOCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(B(O)OO)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.46
MMP9 P14780 4/20 0.46
MMP12 P39900 4/20 0.46
TAS1R3 Q7RTX0 8/20 0.34
TAS1R1 Q7RTX1 8/20 0.34
PPARG P37231 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7739873 0.91 MMP2 (0.48) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7740288 0.85 MMP2 (0.51) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7742784 0.85 MMP2 (0.51) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7742781 0.85 MMP2 (0.51) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7740289 0.85 MMP2 (0.51) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7739459 0.84 MMP2 (0.50) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7741060 0.84 MMP2 (0.50) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7739462 0.84 MMP2 (0.50) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7741055 0.84 MMP2 (0.50) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7734874 0.82 MMP2 (0.48) MMP2MMP9MMP12TAS1R3TAS1R1

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 2 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 disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed