SCHEMBL12095928

SCHEMBL12095928

Cn1nc(C(C)(C)C)cc1NC(=O)OC1(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.43
MMP13 P45452 5/20 0.43
MMP9 P14780 4/20 0.43
MMP3 P08254 3/20 0.43
MMP8 P22894 3/20 0.43
MMP14 P50281 3/20 0.43
MMP1 P03956 1/20 0.43
CNR2 P34972 3/20 0.41
MAPK14 Q16539 9/20 0.41
MAPK13 O15264 2/20 0.38
RAF1 P04049 1/20 0.38
EPHX2 P34913 1/20 0.38
MAPT P10636 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37

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
SCHEMBL1464751 0.85 MMP2 (0.57) MMP2MMP13MMP9MMP3MMP8
SCHEMBL12095844 0.81 CNR2 (0.56) MMP2MMP13MMP9MMP3MMP8
SCHEMBL12095680 0.81 GCK (0.46) MMP2MMP13MMP9MMP3MMP8
SCHEMBL1464586 0.80 MAPT (0.48) MMP2MMP13MMP9MMP3MMP8
SCHEMBL12095604 0.78 MMP2 (0.48) MMP2MMP13MMP9MMP3MMP8
SCHEMBL12095632 0.77 MMP9 (0.42) MMP2MMP13MMP9MMP3MMP8
SCHEMBL12095657 0.76 MMP2 (0.46) MMP2MMP13MMP9MMP3MMP8
SCHEMBL12095949 0.73 CNR2 (0.47) CNR2MAPK14MAPK13MAPTMAPK12
SCHEMBL12827697 0.72 MMP2 (0.55) MMP2MMP13MMP9MMP3MMP8
SCHEMBL1464830 0.69 CNR2 (0.47) CNR2MAPK14MAPK13RAF1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP claimed