SCHEMBL8953377

SCHEMBL8953377

Cc1c(-c2ccccc2)nc(C2CC2)c(C(C)P(=O)(O)CC(O)CC(=O)O)c1-c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.44
NR4A2 P43354 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL8953363 1.00 NR1I2 (0.44) NR1I2NR4A2PDE4D
SCHEMBL8953367 0.83 NR1I2 (0.44) NR1I2NR4A2PDE4D
SCHEMBL8952934 0.82
SCHEMBL8952923 0.82
SCHEMBL8952817 0.82 NR1I2 (0.53) NR1I2NR4A2PDE4D
SCHEMBL8952812 0.82 NR1I2 (0.53) NR1I2NR4A2PDE4D
SCHEMBL8952803 0.82 NR1I2 (0.53) NR1I2NR4A2PDE4D
SCHEMBL8952869 0.79 NR1I2 (0.42) NR1I2NR4A2PDE4D
SCHEMBL8952873 0.79 NR1I2 (0.51) NR1I2NR4A2PDE4D
SCHEMBL8953267 0.78

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