SCHEMBL4156579

SCHEMBL4156579

CC(C)(C)C(=O)CS(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)on1.CC(C)CCS(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)nn1C.CC(C)CCS(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)on1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.54
CNR1 P21554 8/20 0.43
GAA P10253 1/20 0.38
EGFR P00533 2/20 0.36
MAPK14 Q16539 4/20 0.36
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33

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
SCHEMBL4153149 0.95 CNR2 (0.59) CNR2CNR1GAAEGFRMAPK14
SCHEMBL4176963 0.86 CNR2 (0.49) CNR2CNR1
SCHEMBL4160813 0.86 CNR2 (0.49) CNR2CNR1
SCHEMBL1622013 0.84 CNR2 (0.63) CNR2MAPK14MAPTLMNAMAPK13
SCHEMBL1621618 0.83 CNR2 (0.67) CNR2CNR1GAAEGFRMAPK14
SCHEMBL4172770 0.82 CNR2 (0.46) CNR2CNR1GAAEGFRMAPK14
SCHEMBL4172767 0.82 CNR2 (0.46) CNR2CNR1GAAEGFRMAPK14
SCHEMBL1621406 0.80 CNR2 (0.58) CNR2CNR1GAAEGFRMAPK14
SCHEMBL10171441 0.75 CNR2 (0.60) CNR2CNR1GAAEGFRHPGD
SCHEMBL1621510 0.74 CNR2 (0.59) CNR2MAPK14MAPTLMNAMAPK13

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
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP claimed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO claimed