SCHEMBL14036954

SCHEMBL14036954

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](CC)COC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
CYP19A1 P11511 4/20 0.37
MAPT P10636 4/20 0.37
PPARG P37231 3/20 0.37
OXER1 Q8TDS5 3/20 0.37
RXRA P19793 2/20 0.37
FFAR1 O14842 2/20 0.37
PTGS1 P23219 4/20 0.35
F7 P08709 3/20 0.35
F3 P13726 3/20 0.35
PPARA Q07869 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
KMT2A Q03164 2/20 0.35
PPARD Q03181 2/20 0.35
NR1I2 O75469 2/20 0.35
PTGS2 P35354 2/20 0.35
PGR P06401 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33

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
SCHEMBL13169082 0.79 ADORA3 (0.44) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL3684974 0.78 ADORA3 (0.43) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL13186384 0.76 ADORA3 (0.45) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL13169174 0.76 ALDH1A1 (0.38) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL3689369 0.76 ALDH1A1 (0.38) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL13169171 0.76 LPAR1 (0.46) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL13169076 0.75 ADORA3 (0.41) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL3686537 0.74 ADORA3 (0.40) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL8794026 0.74 CYP3A4 (0.39) ALDH1A1CYP3A4TDP1RECQLL3MBTL1
SCHEMBL106353 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008132552-A2 OMEGA-3 LIPID COMPOUNDS PRONOVA BIOPHARMA NORGE AS (US) 2008-11-06 WO disclosed