SCHEMBL4558138

SCHEMBL4558138

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.54
NR1I2 O75469 2/20 0.54
PTGS2 P35354 2/20 0.54
PGR P06401 1/20 0.54
PDE4D Q08499 1/20 0.54
ALDH1A1 P00352 6/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 1/20 0.51
CYP19A1 P11511 4/20 0.47
F7 P08709 3/20 0.47
F3 P13726 3/20 0.47
PPARG P37231 3/20 0.47
OXER1 Q8TDS5 3/20 0.47
PTGS1 P23219 2/20 0.47
KMT2A Q03164 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47

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
SCHEMBL13637933 0.95 ALDH1A1 (0.50) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL4460912 0.94 ALDH1A1 (0.52) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL999550 0.81 ADORA3 (0.55) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL1627822 0.81 ADORA3 (0.55) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL999549 0.81 ADORA3 (0.55) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL3683212 0.81 ADORA3 (0.57) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL9069446 0.80 ALDH1A1 (0.61) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL9070079 0.80 ALDH1A1 (0.61) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL3698774 0.80 ADORA3 (0.49) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL289739 0.80 ADORA3 (0.49) ADORA3NR1I2PTGS2PGRPDE4D

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-2009134147-A1 LIPID COMPOSITIONS CONTAINING DERIVATIVES OF EPA AND DHA AN THEIR USE THEREOF PRONOVA BIOPHARMA NORGE AS (NO) 2009-11-05 WO disclosed