SCHEMBL9750857

SCHEMBL9750857

COC(=O)CC(O)CC(O)/C=C/c1c(-c2ccc(F)cc2)cn(-c2ccccc2)c1C

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.78

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
SCHEMBL9750835 0.89 HMGCR (0.79) HMGCR
SCHEMBL9750927 0.88 HMGCR (0.66) HMGCR
SCHEMBL9750860 0.85 HMGCR (0.78) HMGCR
SCHEMBL9750889 0.82 HMGCR (0.78) HMGCR
SCHEMBL9756785 0.81 HMGCR (0.56) HMGCR
SCHEMBL9519597 0.79 HMGCR (0.65) HMGCR
SCHEMBL9521423 0.79 HMGCR (0.79) HMGCR
SCHEMBL9518920 0.77 HMGCR (0.67) HMGCR
SCHEMBL9750972 0.77 HMGCR (1.00) HMGCR
SCHEMBL10424694 0.77 HMGCR (0.48) 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-5055484-A Anticholesterol and antilipemic agent HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed