SCHEMBL16224903

SCHEMBL16224903

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.67
▸ PPARD Q03181 3/20 0.67
▸ PPARA Q07869 3/20 0.67
▸ SLC6A3 Q01959 1/20 0.48
▸ TRPM7 Q96QT4 1/20 0.48
▸ DAGLA Q9Y4D2 1/20 0.48
▸ CYP19A1 P11511 1/20 0.47
▸ PTGES O14684 2/20 0.46
▸ ALOX5 P09917 2/20 0.46
▸ APP P05067 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ IMPDH2 P12268 3/20 0.41
▸ ABCB1 P08183 2/20 0.40
▸ SMPD1 P17405 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ EPAS1 Q99814 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
SCHEMBL16224901 0.85 PPARG (0.59) PPARGPPARDPPARASLC6A3TRPM7
SCHEMBL16212213 0.81 PPARG (1.00) PPARGPPARDPPARAPTGESALOX5
SCHEMBL2109843 0.77 PPARG (1.00) PPARGPPARDPPARASLC6A3TRPM7
SCHEMBL5587316 0.76 PPARA (0.47) PPARGPPARDPPARAPTGESALOX5
SCHEMBL5589023 0.74 ALOX5 (0.48) PPARGPPARDPPARAPTGESALOX5
SCHEMBL5586683 0.74 ALOX5 (0.48) PPARGPPARDPPARAPTGESALOX5
SCHEMBL5587087 0.74 ALOX5 (0.48) PPARGPPARDPPARAPTGESALOX5
SCHEMBL5588254 0.74 ALOX5 (0.48) PPARGPPARDPPARAPTGESALOX5
SCHEMBL5588437 0.74 ALOX5 (0.48) PPARGPPARDPPARAPTGESALOX5
SCHEMBL16212954 0.74 PPARG (0.78) PPARGPPARDPPARAPTGESALOX5

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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