SCHEMBL6232766

SCHEMBL6232766

C/C=C\CC/C=C/C=C/C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.60
PPARG P37231 2/20 0.53
PPARD Q03181 2/20 0.53
CNR2 P34972 8/20 0.44
CNR1 P21554 6/20 0.44
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
TBXAS1 P24557 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TRPA1 O75762 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
FASN P49327 1/20 0.38

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
SCHEMBL3308337 1.00 PPARA (0.60) PPARAPPARGPPARDCNR2CNR1
SCHEMBL6232772 1.00 PPARA (0.60) PPARAPPARGPPARDCNR2CNR1
SCHEMBL3308333 1.00 PPARA (0.60) PPARAPPARGPPARDCNR2CNR1
SCHEMBL10669966 0.91 PPARA (0.52) PPARAPPARGPPARDCNR2CNR1
SCHEMBL4247494 0.91 PPARA (0.60) PPARAPPARGPPARDCNR2CNR1
SCHEMBL8347693 0.91 PPARA (0.60) PPARAPPARGPPARDCNR2CNR1
SCHEMBL4245971 0.91 PPARA (0.60) PPARAPPARGPPARDCNR2CNR1
SCHEMBL8347698 0.91 PPARA (0.60) PPARAPPARGPPARDCNR2CNR1
SCHEMBL4920953 0.91 PPARA (0.60) PPARAPPARGPPARDCNR2CNR1
SCHEMBL28895690 0.90 FASN (0.52) PPARAPPARGPPARDCNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050233042-A1 Flavourant compounds GIVAUDAN SA (CH) 2005-10-20 US disclosed
EP-1525184-A1 FLAVOURANT COMPOUNDS Givaudan SA (CH) 2005-04-27 EP disclosed
WO-2004011415-A1 FLAVOURANT COMPOUNDS GIVAUDAN SA (CH) 2004-02-05 WO disclosed