SCHEMBL9077337

SCHEMBL9077337

CNC(=O)CC1CCOC(C)(C)O1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL29123756 0.82 CA2 (0.34) CA2SIGMAR1
SCHEMBL14307903 0.81 CYP2C19 (0.41) CA2SIGMAR1ALDH1A1
SCHEMBL3952930 0.81 CYP2C19 (0.41) CA2SIGMAR1ALDH1A1
SCHEMBL9209151 0.79 CA2 (0.36) CA2SIGMAR1
SCHEMBL28866445 0.78 CA2 (0.33) CA2
SCHEMBL27898374 0.78 CPT2 (0.33) CA2SIGMAR1
SCHEMBL14307904 0.74 KCNH2 (0.38) SIGMAR1ALDH1A1
SCHEMBL1067073 0.73 MIF (0.34) CA2SIGMAR1
SCHEMBL30423996 0.72 CA2 (0.33) CA2
SCHEMBL29975910 0.72 CA2 (0.33) CA2

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
US-5510488-A Process for trans-6- 2-(substituted-pyrrol-1-yl)alkyl!pyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1996-04-23 US disclosed