SCHEMBL9368707

SCHEMBL9368707

CC(C)c1nn(-c2c3ccccc3nc3ccccc23)c(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 13/20 0.63

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
SCHEMBL9368724 1.00 HMGCR (0.63) HMGCR
SCHEMBL9369549 1.00 HMGCR (0.63) HMGCR
SCHEMBL9691711 1.00 HMGCR (0.63) HMGCR
SCHEMBL9368715 1.00 HMGCR (0.63) HMGCR
SCHEMBL9369980 0.87 HMGCR (0.62) HMGCR
SCHEMBL9368661 0.87 HMGCR (0.62) HMGCR
SCHEMBL9368653 0.87 HMGCR (0.62) HMGCR
SCHEMBL9693210 0.87 HMGCR (0.62) HMGCR
SCHEMBL9368656 0.87 HMGCR (0.62) HMGCR
SCHEMBL9369984 0.87 HMGCR (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252476-B1 Trans-6-[2-(N-heteroaryl-3,5-disubstituted) pyrazol-4-yl)-ethyl]- or ethenyl] tetrahydro-4-hydroxypyran-2-one-derivatives a process for their preparation and the use thereof WARNER LAMBERT CO (US) 1994-02-02 EP claimed
EP-0252476-A2 Trans-6-[2-(N-heteroaryl-3,5-disubstituted) pyrazol-4-yl)-ethyl]- or ethenyl] tetrahydro-4-hydroxypyran-2-one-derivatives a process for their preparation and the use thereof WARNER-LAMBERT COMPANY (US) 1988-01-13 EP claimed
EP-0252476-A2 Trans-6-[2-(N-heteroaryl-3,5-disubstituted) pyrazol-4-yl)-ethyl]- or ethenyl] tetrahydro-4-hydroxypyran-2-one-derivatives a process for their preparation and the use thereof WARNER-LAMBERT COMPANY (US) 1988-01-13 EP disclosed