SCHEMBL8952901

SCHEMBL8952901

CCc1c(-c2ccccc2)nc(C(C)C)c(CCCO[PH](=O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 11/20 0.44
ESR1 P03372 1/20 0.42
HMGCR P04035 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
PDE4A P27815 1/20 0.42
ADRA1A P35348 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
SCHEMBL8952906 1.00 GCGR (0.44) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8952824 0.92 ESR1 (0.42) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8952827 0.92 ESR1 (0.42) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8952825 0.83 HMGCR (0.48) ESR1HMGCRCHRM1TBXA2RPDE4A
SCHEMBL8952819 0.83 HMGCR (0.48) ESR1HMGCRCHRM1TBXA2RPDE4A
SCHEMBL8876752 0.83 GCGR (0.42) GCGR
SCHEMBL8952759 0.82 ESR1 (0.39) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8953109 0.82 HMGCR (0.50) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8953113 0.82 HMGCR (0.50) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8952763 0.82 ESR1 (0.39) GCGRESR1HMGCRCHRM1TBXA2R

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