SCHEMBL8876525

SCHEMBL8876525

C=CC(C(O)CC(=O)Oc1c(CC)nc(-c2ccccc2)c(C)c1-c1ccc(F)cc1)[PH](=O)O

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34

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
SCHEMBL8876478 0.88 ADORA3 (0.36) TP53
SCHEMBL8877982 0.85 TP53 (0.34) TP53
SCHEMBL8876797 0.81 TP53 (0.33) TP53
SCHEMBL8878409 0.79 TP53 (0.36) TP53
SCHEMBL8876250 0.79 NR1I2 (0.39)
SCHEMBL8876530 0.79 HMGCR (0.34)
SCHEMBL8877933 0.78 HMGCR (0.41)
SCHEMBL8878196 0.78 TP53 (0.41) TP53
SCHEMBL8877570 0.77 HMGCR (0.40)
SCHEMBL8900806 0.76 ADORA3 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691322-A Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-11-25 US disclosed