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 — —
SCHEMBL312822 0.57 TSHR (0.39) ALDH1A1LMNA
SCHEMBL7377614 0.57 L3MBTL1 (0.42) ALDH1A1LMNAMAPT
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
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