SCHEMBL9302552

SCHEMBL9302552

CC(C)c1c(C#CP(=O)(O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccn12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.42
SIRT6 Q8N6T7 2/20 0.42
ABCC3 O15438 1/20 0.42
ABCB11 O95342 1/20 0.42
HMGCR P04035 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
RXRA P19793 1/20 0.42
TBXA2R P21731 1/20 0.42
CCKAR P32238 1/20 0.42
ADRA1A P35348 1/20 0.42
PTGS2 P35354 1/20 0.42
NR4A2 P43354 1/20 0.42
PDE4D Q08499 1/20 0.42
SLC10A1 Q14973 1/20 0.42

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
SCHEMBL9302561 1.00 CYP2C9 (0.42) CYP2C9SIRT6ABCC3ABCB11HMGCR
SCHEMBL9695052 0.89 ABCB11 (0.39) CYP2C9SIRT6ABCC3ABCB11HMGCR
SCHEMBL9695065 0.89 ABCB11 (0.39) CYP2C9SIRT6ABCC3ABCB11HMGCR
SCHEMBL9696587 0.84 HMGCR (0.40) HMGCR
SCHEMBL9696578 0.84 HMGCR (0.40) HMGCR
SCHEMBL9516811 0.83 HMGCR (0.47) CYP2C9SIRT6ABCC3ABCB11HMGCR
SCHEMBL9516800 0.83 HMGCR (0.47) CYP2C9SIRT6ABCC3ABCB11HMGCR
SCHEMBL9696492 0.79 HMGCR (0.39) CYP2C9SIRT6ABCC3ABCB11HMGCR
SCHEMBL9696496 0.79 HMGCR (0.39) CYP2C9SIRT6ABCC3ABCB11HMGCR
SCHEMBL9696228 0.78 HMGCR (0.38) ABCB11HMGCR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0444532-A1 Phosphorus-containing HMG-CoA reductase inhibitors, new intermediates and method E.R. SQUIBB & SONS, INC. (US) 1991-09-04 EP claimed
US-5025000-A Anticholesterol, antilipemic agents E. R. SQUIBB & SONS, INC. (US) 1991-06-18 US claimed
JP-6065267-A None JP disclosed
JP-H0665267-A PHOSPHORUS-CONTAINING HMG-COENZYME A REDUCTASE INHIBITOR AND NEW INTERMEDIATE E R SQUIBB & SONS INC 1994-03-08 JP disclosed
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