SCHEMBL8944796

SCHEMBL8944796

CCCCc1nc2c(C)ccc(O)c2n1Cc1ccc(-c2ccccc2C(=O)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
AGTR2 P50052 2/20 0.48
AGTR1 P30556 1/20 0.48

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
SCHEMBL8944564 0.90 PPARG (0.47) PPARGAGTR2AGTR1
SCHEMBL8394710 0.89 PPARG (0.54) PPARGAGTR2AGTR1
SCHEMBL8944383 0.88 PPARG (0.47) PPARG
Trifluoroacetic Acid SCHEMBL8391302 0.88 PPARG (0.59) PPARGAGTR2AGTR1
SCHEMBL8392507 0.88 PPARG (0.51) PPARGAGTR2AGTR1
SCHEMBL8393300 0.86 PPARG (0.65) PPARGAGTR2AGTR1
Water SCHEMBL8396072 0.85 PPARG (0.64) PPARGAGTR2AGTR1
SCHEMBL8847656 0.83 AGTR1 (0.47) PPARGAGTR2AGTR1
SCHEMBL8944794 0.82 PPARG (0.57) PPARGAGTR2AGTR1
SCHEMBL8944766 0.82

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