SCHEMBL2227460

SCHEMBL2227460

CC(C)(C)c1cc(CNC(=O)C(C)(C)[S+]([O-])C2CCOCC2)on1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.40
CNR1 P21554 8/20 0.40
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL14222007 0.81 CNR2 (0.54) CNR2CNR1ALDH1A1
SCHEMBL2227038 0.77 CNR2 (0.58) CNR2CNR1ALDH1A1EPHX2
SCHEMBL14647182 0.74 CNR2 (0.64) CNR2CNR1
SCHEMBL15219064 0.73 CNR2 (0.53) CNR2CNR1
SCHEMBL13391917 0.73 CNR2 (0.50) CNR2CNR1
SCHEMBL15491977 0.73 CNR2 (0.50) CNR2CNR1
SCHEMBL12289472 0.72 CNR2 (0.53) CNR2
SCHEMBL15492715 0.72 CNR2 (0.53) CNR2
SCHEMBL17689399 0.71 POLB (0.52) CNR2ALDH1A1EPHX2
SCHEMBL14647393 0.70 CNR2 (0.49) CNR2CNR1ALDH1A1

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-2523936-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2012-11-21 EP disclosed
WO-2011088015-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 WO disclosed