SCHEMBL9799727

SCHEMBL9799727

C=C(C=CC(O)CC(O)CC(=O)Oc1ccc(F)cc1)c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.37

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
SCHEMBL9799371 0.88 SMN1; SMN2 (0.32) HMGCR
SCHEMBL10610743 0.82 HMGCR (0.41) HMGCR
SCHEMBL10612687 0.82 HMGCR (0.39) HMGCR
SCHEMBL9799735 0.81 HMGCR (0.32) HMGCR
SCHEMBL10610197 0.79 HMGCR (0.51) HMGCR
SCHEMBL9799374 0.79 HMGCR (0.31) HMGCR
SCHEMBL9798947 0.77 HMGCR (0.36) HMGCR
SCHEMBL10611077 0.74 HMGCR (0.57) HMGCR
SCHEMBL10609448 0.74 KCNN4 (0.33)
SCHEMBL10437542 0.73 HMGCR (0.45) 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-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed