SCHEMBL6578839

SCHEMBL6578839

CC=CCCC(O)C=CC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
TRPA1 O75762 1/20 0.30
DDAH1 O94760 1/20 0.30
GAPDH P04406 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6578837 1.00 PPARG (0.32) PPARGPPARDPPARATRPA1DDAH1
SCHEMBL7766991 0.95 PPARG (0.31) PPARGPPARDPPARA
SCHEMBL7766989 0.95 PPARG (0.31) PPARGPPARDPPARA
SCHEMBL8017335 0.86
SCHEMBL8017337 0.86
SCHEMBL11771493 0.83 PPARG (0.33) PPARGPPARDPPARA
SCHEMBL17270361 0.83 PPARG (0.30) PPARGPPARDPPARA
SCHEMBL11771491 0.83 PPARG (0.33) PPARGPPARDPPARA
SCHEMBL17270360 0.83 PPARG (0.30) PPARGPPARDPPARA
SCHEMBL11598426 0.83 PPARG (0.30) PPARGPPARDPPARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455934-A1 METHOD FOR ISOMERIZING ALLYL ALCOHOLS BASF AKTIENGESELLSCHAFT (DE) 2004-09-15 EP disclosed
EP-1322583-A1 METHOD FOR THE ISOMERISATION OF ALLYL ALCOHOLS BASF AKTIENGESELLSCHAFT (DE) 2003-07-02 EP disclosed
WO-2003047749-A1 METHOD FOR ISOMERIZING ALLYL ALCOHOLS BASF AKTIENGESELLSCHAFT (DE) 2003-06-12 WO disclosed
WO-2002024617-A1 METHOD FOR THE ISOMERISATION OF ALLYL ALCOHOLS BASF AKTIENGESELLSCHAFT (DE) 2002-03-28 WO disclosed