SCHEMBL9763582

SCHEMBL9763582

CC(C)c1c(CC[C@@H]2C[C@@H](O)CC(=O)O2)n(-c2ccc(F)cc2)c(=O)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.49

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
SCHEMBL9763882 0.78 HMGCR (0.51) HMGCR
SCHEMBL9763471 0.77 HMGCR (0.50) HMGCR
SCHEMBL9763466 0.77 HMGCR (0.50) HMGCR
SCHEMBL3817255 0.75 HMGCR (0.49) HMGCR
SCHEMBL9763456 0.75 KDM4E (0.44)
SCHEMBL9724600 0.74 HMGCR (0.53) HMGCR
SCHEMBL9763534 0.73 KDM4E (0.42)
SCHEMBL3819551 0.72 HMGCR (0.45) HMGCR
SCHEMBL13717261 0.72 HMGCR (0.45) HMGCR
SCHEMBL9730278 0.71 HMGCR (0.46) 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-5004747-A Isoquinolinones MAY & BAKER LIMITED (GB) 1991-04-02 US disclosed