SCHEMBL8395491

SCHEMBL8395491

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.54
AGTR1 P30556 1/20 0.52
AGTR2 P50052 1/20 0.52
ACHE P22303 1/20 0.47
DRD2 P14416 1/20 0.45
TBXA2R P21731 1/20 0.45

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
SCHEMBL8391700 0.90 PPARG (0.54) PPARGAGTR1AGTR2ACHEDRD2
SCHEMBL8394659 0.90 PPARG (0.54) PPARGAGTR1AGTR2DRD2TBXA2R
SCHEMBL8394173 0.89 PPARG (0.61) PPARGAGTR1AGTR2
SCHEMBL8395988 0.88 DRD2 (0.54) PPARGAGTR1AGTR2DRD2TBXA2R
SCHEMBL8393697 0.88 PPARG (0.63) PPARGAGTR1AGTR2
SCHEMBL8393163 0.88 TP53 (0.57) PPARGAGTR1AGTR2DRD2TBXA2R
SCHEMBL8392761 0.87 HDAC1 (0.55) PPARGAGTR1AGTR2ACHE
SCHEMBL8396641 0.87 MMP7 (0.52) PPARGAGTR1AGTR2ACHEDRD2
SCHEMBL8395737 0.86 PPARG (0.75) PPARGAGTR1AGTR2
SCHEMBL8392428 0.86 POLB (0.60) PPARGAGTR1AGTR2TBXA2R

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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed