SCHEMBL3690734

SCHEMBL3690734

CCC=CCC=CCC=CCC=CCCOC(CC)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.50
NR1I2 O75469 2/20 0.50
PTGS2 P35354 2/20 0.50
PGR P06401 1/20 0.50
PDE4D Q08499 1/20 0.50
ALDH1A1 P00352 8/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.48
CYP19A1 P11511 4/20 0.42
MAPT P10636 4/20 0.42
PPARG P37231 3/20 0.42
OXER1 Q8TDS5 3/20 0.42
RXRA P19793 2/20 0.42
FFAR1 O14842 2/20 0.42
PPARA Q07869 3/20 0.41
PTGS1 P23219 3/20 0.40
F7 P08709 3/20 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
SCHEMBL3690731 1.00 ADORA3 (0.50) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL3688338 0.90 ALDH1A1 (0.55) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL3688336 0.90 ALDH1A1 (0.55) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL290873 0.84 ALDH1A1 (0.49) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL29255896 0.84 ALDH1A1 (0.49) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL5019730 0.84 ALDH1A1 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL289343 0.84 ALDH1A1 (0.49) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL290874 0.84 ALDH1A1 (0.49) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL5019729 0.84 ALDH1A1 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL289344 0.84 ALDH1A1 (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
EP-2248798-A1 Novel lipid compounds Pronova BioPharma Norge AS (NO) 2010-11-10 EP disclosed