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SCHEMBL469405

SCHEMBL469405

CC(C)(CSCCCC(F)(F)F)C(=O)Nc1cc(C(C)(C)CO)no1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 16/20 0.64
▸ CNR1 P21554 10/20 0.64
▸ MAPK14 Q16539 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ RPS6KA2 Q15349 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
SCHEMBL12566290 0.81 CNR2 (0.70) CNR2CNR1MAPK14ALDH1A1
SCHEMBL10098835 0.80 CNR2 (0.63) CNR2CNR1MAPK14ALDH1A1RPS6KA2
SCHEMBL469436 0.80 CNR2 (0.74) CNR2CNR1MAPK14ALDH1A1
SCHEMBL12566996 0.79 CNR2 (0.66) CNR2CNR1MAPK14ALDH1A1
SCHEMBL2204122 0.78 CNR2 (1.00) CNR2CNR1ALDH1A1
SCHEMBL13393251 0.77 CNR2 (0.64) CNR2CNR1MAPK14ALDH1A1RPS6KA2
SCHEMBL12566504 0.76 CNR2 (0.63) CNR2CNR1MAPK14ALDH1A1
SCHEMBL9891520 0.75 CNR2 (0.60) CNR2CNR1MAPK14ALDH1A1RPS6KA2
SCHEMBL1691232 0.75 CNR2 (0.88) CNR2CNR1ALDH1A1
SCHEMBL13001505 0.75 CNR2 (0.60) CNR2CNR1MAPK14ALDH1A1RPS6KA2

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
WO-2012012307-A9 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 — — WO disclosed
WO-2012012307-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-26 — — WO disclosed