Sugi Predict

Sugi Predict / Compounds / SCHEMBL8953196

SCHEMBL8953196

SCHEMBL8953196

CCc1c(-c2ccccc2)nc(C(C)C)c(/C=C/P(=O)(C[C@H](CC(=O)O)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC)c1-c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.41
▸ HMGCR P04035 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ GCGR P47871 1/20 0.36

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
SCHEMBL8953217 1.00 ESR1 (0.41) ESR1HMGCRCHRM1TBXA2RPDE4A
SCHEMBL8952778 0.92 ESR1 (0.39) ESR1HMGCRCHRM1TBXA2RPDE4A
SCHEMBL8952769 0.92 ESR1 (0.39) ESR1HMGCRCHRM1TBXA2RPDE4A
SCHEMBL8952842 0.88 HMGCR (0.39) ESR1HMGCRCHRM1TBXA2RPDE4A
SCHEMBL9562809 0.88 HMGCR (0.45) ESR1HMGCRCHRM1TBXA2RPDE4A
SCHEMBL8952859 0.88 HMGCR (0.39) ESR1HMGCRCHRM1TBXA2RPDE4A
SCHEMBL10345267 0.88 HMGCR (0.39) ESR1HMGCRCHRM1TBXA2RPDE4A
SCHEMBL8953306 0.85 CTSA (0.32) —
SCHEMBL8953328 0.85 CTSA (0.32) —
SCHEMBL8953120 0.85 ESR1 (0.52) ESR1HMGCRCHRM1TBXA2RPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506219-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-04-09 — — US disclosed
EP-0444533-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1991-09-04 — — EP disclosed