SCHEMBL13618552

SCHEMBL13618552

CC(C)(C(=O)NN)[SH](C)(=O)CC1CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL13618546 0.90 MAPK8 (0.31)
SCHEMBL13618715 0.89 CNR2 (0.30)
SCHEMBL10147502 0.64 ALDH1A1 (0.33) ALDH1A1LMNAMAPT
SCHEMBL351736 0.63 CNR2 (0.40) ALDH1A1LMNAMAPT
SCHEMBL13618557 0.58 ALDH1A1 (0.37) ALDH1A1LMNAMAPT
SCHEMBL168766 0.57
SCHEMBL7377614 0.57 L3MBTL1 (0.42) ALDH1A1LMNAMAPT
SCHEMBL312822 0.57 TSHR (0.39) ALDH1A1LMNA
SCHEMBL12667948 0.57 CTSD (0.35) LMNA
SCHEMBL10640388 0.57 EPHX1 (0.39) ALDH1A1LMNAMAPT

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
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed