SCHEMBL8458245

SCHEMBL8458245

C1CCC(NC2CCCCC2)CC1.COC(=O)C(Cc1ccc(OCc2ccccc2)cc1)N/C(C)=C\C(=O)c1ccccc1.O=C(C1=C(NC(Cc2ccc(OCc3ccccc3)cc2)C(=O)O)CCCC1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 19/20 0.65
▸ YAP1 P46937 1/20 0.46
▸ PPARA Q07869 1/20 0.42

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
SCHEMBL8458250 1.00 PPARG (0.65) PPARGYAP1PPARA
SCHEMBL7708321 0.88 PPARG (0.84) PPARG
SCHEMBL7708314 0.88 PPARG (0.84) PPARG
SCHEMBL7711546 0.87 PPARG (0.80) PPARGPPARA
SCHEMBL7711541 0.87 PPARG (0.80) PPARGPPARA
SCHEMBL2805642 0.81 PPARG (1.00) PPARGYAP1PPARA
SCHEMBL9994772 0.81 PPARG (1.00) PPARG
SCHEMBL2805640 0.81 PPARG (1.00) PPARGYAP1PPARA
SCHEMBL9994771 0.81 PPARG (1.00) PPARG
SCHEMBL2806311 0.77 PPARG (1.00) PPARGPPARA

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
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 — — EP disclosed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 — — WO disclosed
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