SCHEMBL8952989

SCHEMBL8952989

CC(C)c1nc2c(c(-c3ccc(F)cc3)c1C#CCO[PH](=O)CC(O)CC(=O)O)Cc1ccccc1-2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.44
HMGCR P04035 3/20 0.37
ESR1 P03372 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
PDE4A P27815 1/20 0.37
ADRA1A P35348 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
SCHEMBL8953059 0.93 SQOR (0.36) SQORHMGCRESR1CHRM1TBXA2R
SCHEMBL8953066 0.93 SQOR (0.36) SQORHMGCRESR1CHRM1TBXA2R
SCHEMBL8953142 0.87 SQOR (0.39) SQOR
SCHEMBL8953147 0.87 SQOR (0.39) SQOR
SCHEMBL8953087 0.87 HMGCR (0.40) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL8953104 0.87 HMGCR (0.40) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL8953101 0.87 HMGCR (0.40) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL8953090 0.87 HMGCR (0.40) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL8952773 0.84 HMGCR (0.39) HMGCR
SCHEMBL8952776 0.84 HMGCR (0.38) HMGCRESR1CHRM1TBXA2RPDE4A

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