SCHEMBL16224901

SCHEMBL16224901

CCCCCc1c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.59
▸ PPARD Q03181 3/20 0.59
▸ PPARA Q07869 3/20 0.59
▸ SLC6A3 Q01959 2/20 0.53
▸ TRPM7 Q96QT4 1/20 0.53
▸ DAGLA Q9Y4D2 1/20 0.53
▸ CYP19A1 P11511 1/20 0.52
▸ HIF1A Q16665 4/20 0.44
▸ EPAS1 Q99814 4/20 0.44
▸ MAOB P27338 1/20 0.43
▸ PTGES O14684 1/20 0.42
▸ APP P05067 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ SLC6A2 P23975 2/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ TRPA1 O75762 1/20 0.39

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
SCHEMBL16224903 0.85 PPARG (0.67) PPARGPPARDPPARASLC6A3TRPM7
SCHEMBL11759762 0.83 CYP19A1 (0.67) PPARGPPARDPPARASLC6A3TRPM7
SCHEMBL6434707 0.78 KAT8 (0.49) PPARGPPARDPPARA
SCHEMBL2109843 0.75 PPARG (1.00) PPARGPPARDPPARASLC6A3TRPM7
SCHEMBL23121448 0.73 KAT8 (0.47) PPARGPPARA
SCHEMBL5588198 0.73 KAT8 (0.47) PPARGPPARA
SCHEMBL5589035 0.73 KAT8 (0.47) PPARGPPARA
SCHEMBL5588294 0.73 KAT8 (0.47) PPARGPPARA
Ammonia Solution, Strong SCHEMBL26679451 0.73 FFAR1 (0.49) PPARGPPARDPPARAPTPN1
SCHEMBL15361077 0.72 MAOB (0.49) PPARGPPARDPPARAHIF1AEPAS1

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
WO-2014177593-A1 AMORFRUTIN ANALOGS AS PPARGAMMA-MODULATORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-11-06 — — WO disclosed
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