SCHEMBL14668

SCHEMBL14668

OC12CCCC[C@H]1OCCC2

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
MAPT P10636 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
SCHEMBL15810093 1.00 MET (0.42) METMAPT
SCHEMBL14659 1.00 MET (0.42) METMAPT
SCHEMBL16015582 1.00 MET (0.42) METMAPT
SCHEMBL15827866 1.00 MET (0.42) METMAPT
SCHEMBL14663 1.00 MET (0.42) METMAPT
SCHEMBL6011039 0.93 MET (0.39) METMAPT
SCHEMBL20854322 0.91 MET (0.38) MET
SCHEMBL28851558 0.88 MET (0.35) MET
SCHEMBL9016155 0.74 MET (0.30) MET
SCHEMBL12796478 0.72 KMT2A (0.36) MET

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-2011043954-A1 NOVEL TRPA1 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-04-14 WO disclosed