SCHEMBL4456986

SCHEMBL4456986

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
CYP19A1 P11511 4/20 0.44
MAPT P10636 4/20 0.44
OXER1 Q8TDS5 4/20 0.44
PPARG P37231 3/20 0.44
RXRA P19793 2/20 0.44
FFAR1 O14842 2/20 0.44
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
PTGS1 P23219 4/20 0.42
F7 P08709 3/20 0.42
F3 P13726 3/20 0.42
PPARA Q07869 3/20 0.42
KMT2A Q03164 2/20 0.42
PPARD Q03181 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
NR1I2 O75469 2/20 0.40
PTGS2 P35354 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40

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
SCHEMBL3261151 0.95 PTGS1 (0.49) ALDH1A1CYP19A1MAPTOXER1PPARG
SCHEMBL3261154 0.95 PTGS1 (0.49) ALDH1A1CYP19A1MAPTOXER1PPARG
SCHEMBL3840109 0.84 ALDH1A1 (0.43) ALDH1A1CYP19A1MAPTOXER1PPARG
SCHEMBL4450354 0.84 ALDH1A1 (0.43) ALDH1A1CYP19A1MAPTOXER1PPARG
SCHEMBL444167 0.82 ADORA3 (0.46) ALDH1A1CYP19A1MAPTOXER1PPARG
SCHEMBL3222828 0.82 ALDH1A1 (0.50) ALDH1A1CYP19A1MAPTOXER1PPARG
SCHEMBL3265006 0.82 ADORA3 (0.46) ALDH1A1CYP19A1MAPTOXER1PPARG
SCHEMBL3265008 0.82 ADORA3 (0.46) ALDH1A1CYP19A1MAPTOXER1PPARG
SCHEMBL3834787 0.81 ALDH1A1 (0.41) ALDH1A1CYP19A1MAPTOXER1PPARG
SCHEMBL3834790 0.81 ALDH1A1 (0.41) ALDH1A1CYP19A1MAPTOXER1PPARG

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
EP-2102139-A2 OMEGA-3 LIPID COMPOUNDS Pronova Biopharma Norge AS (NO) 2009-09-23 EP disclosed
WO-2008142482-A2 OMEGA-3 LIPID COMPOUNDS PRONOVA BIOPHARMA NORGE AS (US) 2008-11-27 WO disclosed
WO-2008053340-A1 A COMBINATION PRODUCT COMPRISING AT LEAST ONE LIPID SUBSTITUTED IN THE ALPHA POSITION AND AT LEAST ONE HYPOGLYCEMIC AGENT PRONOVA BIOPHARMA NORGE AS (NO) 2008-05-08 WO disclosed