SCHEMBL3963534

SCHEMBL3963534

CC(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)on1.CCC(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)on1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.55
CNR1 P21554 6/20 0.54
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPK14 Q16539 2/20 0.43

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
SCHEMBL1464457 0.97 CNR2 (0.58) CNR2CNR1SMN1; SMN2MAPK14
SCHEMBL1464908 0.93 CNR2 (0.63) CNR2CNR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL12095618 0.90 CNR2 (0.56) CNR2CNR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1465550 0.80 CNR2 (0.67) CNR2CNR1ALDH1A1MAPK14
SCHEMBL1465876 0.79 CNR2 (0.59) CNR2CNR1MAPK14
SCHEMBL3962718 0.79 CNR2 (0.63) CNR2CNR1
SCHEMBL12095559 0.78 CNR2 (0.60) CNR2CNR1MAPK14
SCHEMBL10171346 0.78 CNR2 (0.60) CNR2CNR1MAPK14
SCHEMBL1464728 0.78 CNR2 (0.68) CNR2CNR1LMNAMAPK14
SCHEMBL13015651 0.75 ALDH1A1 (0.48) CNR2CNR1SMN1; SMN2ALDH1A1LMNA

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
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO claimed
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO disclosed