SCHEMBL10640271

SCHEMBL10640271

CC(C)c1nn(-c2ccccc2)c(-c2ccc(F)cc2)c1CCC(O)C/C(O)=C/C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.71

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
SCHEMBL10640278 1.00 HMGCR (0.71) HMGCR
SCHEMBL10634659 0.87 HMGCR (0.71) HMGCR
SCHEMBL10636920 0.86 HMGCR (0.84) HMGCR
SCHEMBL10638138 0.83 HMGCR (0.50) HMGCR
SCHEMBL10638130 0.83 HMGCR (0.50) HMGCR
SCHEMBL10637722 0.82 HMGCR (0.78) HMGCR
SCHEMBL10637419 0.79 HMGCR (0.60) HMGCR
SCHEMBL10640282 0.79 HMGCR (0.73) HMGCR
SCHEMBL6950716 0.77 HMGCR (0.61) HMGCR
SCHEMBL6950724 0.77 HMGCR (0.61) HMGCR

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-4751229-A Treating fungal infections with substituted-(6-(tetrahydro-4-hydroxy-2-oxo-2H-pyran-2-yl)ethyl)- or ethenyl)pyrazoles WARNER-LAMBERT COMPANY (US) 1988-06-14 US disclosed