SCHEMBL9696593

SCHEMBL9696593

COP(=O)(C#Cc1c(C(C)C)c2n(c1-c1ccc(F)cc1)CCCC2)C[C@@H](O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 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
SCHEMBL9697349 0.89 KMT2A (0.39) KMT2A
SCHEMBL9697344 0.89 KMT2A (0.39) KMT2A
SCHEMBL9695383 0.85 HMGCR (0.37)
SCHEMBL9697110 0.84 KMT2A (0.31) KMT2A
SCHEMBL9696591 0.82 KMT2A (0.38) KMT2A
SCHEMBL9697128 0.82 KMT2A (0.39) KMT2A
SCHEMBL9696601 0.80 KMT2A (0.38) KMT2A
SCHEMBL9696605 0.80 KMT2A (0.38) KMT2A
SCHEMBL9696241 0.79 HMGCR (0.38)
SCHEMBL9696274 0.78 KMT2A (0.39) KMT2A

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
US-5124453-A Treatment of corresponding aldehyde with lithium bis(tri-methylsilyl)amide E. R. SQUIBB & SONS, INC. (US) 1992-06-23 US disclosed
EP-0444532-A1 Phosphorus-containing HMG-CoA reductase inhibitors, new intermediates and method E.R. SQUIBB & SONS, INC. (US) 1991-09-04 EP disclosed
US-5025000-A Anticholesterol, antilipemic agents E. R. SQUIBB & SONS, INC. (US) 1991-06-18 US disclosed