SCHEMBL12095949

SCHEMBL12095949

Cn1nc(C(C)(C)C)cc1NC(=O)O.O=S(=O)(c1ccc(C(F)(F)F)cc1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.47
MAPK14 Q16539 6/20 0.43
ELOVL6 Q9H5J4 4/20 0.43
CCR6 P51684 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
CCR7 P32248 1/20 0.42

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
SCHEMBL12095646 0.91 CCR6 (0.44) CNR2MAPK14ELOVL6CCR6MAPK13
SCHEMBL12095619 0.87 CNR2 (0.62) CNR2MAPK14MAPTLMNAMAPK13
SCHEMBL12095707 0.78 CNR2 (0.62) CNR2CCR6MAPTLMNA
SCHEMBL12095788 0.78 GCK (0.49) CCR6MAPTLMNA
SCHEMBL1464586 0.77 MAPT (0.48) CNR2MAPK14MAPTMAPK13MAPK12
SCHEMBL1699062 0.76 MAPK14 (0.61) CNR2MAPK14MAPTLMNAMAPK13
SCHEMBL1464751 0.76 MMP2 (0.57) CNR2MAPT
SCHEMBL12095654 0.75 ALDH1A1 (0.45) ELOVL6CCR6LMNACCR7
SCHEMBL1464830 0.74 CNR2 (0.47) CNR2MAPK14MAPTLMNAMAPK13
SCHEMBL12095613 0.74 CCR6 (0.66) CCR6CCR7

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