SCHEMBL5863926

SCHEMBL5863926

CC/C=C\C/C=C\C=C\CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.45
OXER1 Q8TDS5 5/20 0.44
ALDH1A1 P00352 6/20 0.41
CYP19A1 P11511 4/20 0.41
PPARG P37231 3/20 0.41
MAPT P10636 3/20 0.41
RXRA P19793 2/20 0.41
FFAR1 O14842 2/20 0.41
F7 P08709 3/20 0.39
F3 P13726 3/20 0.39
PTGS1 P23219 3/20 0.39
KMT2A Q03164 2/20 0.39
PPARD Q03181 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
CNR1 P21554 3/20 0.37
NR1I2 O75469 2/20 0.36
PTGS2 P35354 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2744669 1.00 PPARA (0.45) PPARAOXER1ALDH1A1CYP19A1PPARG
SCHEMBL2744666 1.00 PPARA (0.45) PPARAOXER1ALDH1A1CYP19A1PPARG
SCHEMBL5863932 1.00 PPARA (0.45) PPARAOXER1ALDH1A1CYP19A1PPARG
SCHEMBL12098656 1.00 PPARA (0.45) PPARAOXER1ALDH1A1CYP19A1PPARG
SCHEMBL28539655 0.86
SCHEMBL875160 0.86
SCHEMBL14971380 0.86 ALDH1A1 (0.46) PPARAOXER1ALDH1A1CYP19A1PPARG
SCHEMBL15809762 0.86 ALDH1A1 (0.46) PPARAOXER1ALDH1A1CYP19A1PPARG
SCHEMBL15809764 0.86 ALDH1A1 (0.46) PPARAOXER1ALDH1A1CYP19A1PPARG
SCHEMBL875159 0.86

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-6995291-B2 Process for the oxidation of unsaturated alcohols FIRMENICH SA (CH) 2006-02-07 US disclosed
EP-1472207-A1 A PROCESS FOR THE OXIDATION OF UNSATURATED ALCOHOLS Firmenich SA (CH) 2004-11-03 EP disclosed
WO-2003064362-A1 A PROCESS FOR THE OXIDATION OF UNSATURATED ALCOHOLS FIRMENICH SA (CH) 2003-08-07 WO disclosed