SCHEMBL4557650

SCHEMBL4557650

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(CC)COC(=O)OCCCC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
TSHR P16473 4/20 0.38
CYP3A4 P08684 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
HCAR2 Q8TDS4 1/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CA2 P00918 1/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL4557907 0.83 ALDH1A1 (0.45) ATMTSHRCYP3A4TDP1NR1I2
SCHEMBL14036961 0.80 ADORA3 (0.35) TSHRCYP3A4TDP1NR1I2PGR
SCHEMBL3688839 0.79 ADORA3 (0.38) TSHRCYP3A4TDP1NR1I2PGR
SCHEMBL3695677 0.79 ADORA3 (0.34) TSHRCYP3A4TDP1NR1I2PGR
SCHEMBL14036955 0.76 ADORA3 (0.47) ATMTSHRCYP3A4TDP1NR1I2
SCHEMBL3691603 0.75 PRKCA (0.38) TSHRCYP3A4TDP1NR1I2PGR
SCHEMBL9069413 0.75 ALDH1A1 (0.56) TSHRCYP3A4TDP1NR1I2PGR
SCHEMBL13169082 0.75 ADORA3 (0.44) ATMTSHRCYP3A4TDP1NR1I2
SCHEMBL13169080 0.73 ADORA3 (0.43) ATMTSHRCYP3A4TDP1NR1I2
SCHEMBL13169166 0.73 ALDH1A1 (0.46) ATMTSHRCYP3A4TDP1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129646-A2 OMEGA-3 LIPID COMPOUNDS Pronova Biopharma Norge AS (NO) 2009-12-09 EP disclosed
WO-2008132552-A2 OMEGA-3 LIPID COMPOUNDS PRONOVA BIOPHARMA NORGE AS (US) 2008-11-06 WO disclosed