SCHEMBL8944698

SCHEMBL8944698

O=C(OC(=O)C(F)(F)F)c1ccccc1-c1ccc(Cn2c(CO)nc3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.56
AGTR1 P30556 1/20 0.55
AGTR2 P50052 1/20 0.55

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
Trifluoroacetic Acid SCHEMBL8944690 0.85 PPARG (0.71) PPARGAGTR1AGTR2
SCHEMBL8394173 0.84 PPARG (0.61) PPARGAGTR1AGTR2
SCHEMBL8396012 0.82 PPARG (0.80) PPARGAGTR1AGTR2
SCHEMBL8944694 0.82 PPARG (0.66) PPARGAGTR1AGTR2
SCHEMBL9095466 0.79 AGTR1 (0.59) PPARGAGTR1AGTR2
SCHEMBL8944873 0.78 AGTR1 (0.57) PPARGAGTR1AGTR2
SCHEMBL8393697 0.77 PPARG (0.63) PPARGAGTR1AGTR2
SCHEMBL8395737 0.76 PPARG (0.75) PPARGAGTR1AGTR2
SCHEMBL8392428 0.76 POLB (0.60) PPARGAGTR1AGTR2
SCHEMBL8944551 0.75 AGTR1 (0.57) AGTR1AGTR2

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-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed