SCHEMBL8726421

SCHEMBL8726421

C/C(=C\C(C)/C=C(\C)C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
AKR1C3 P42330 1/20 0.37
FFAR3 O14843 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
TP53 P04637 1/20 0.35
APEX1 P27695 5/20 0.34
ALDH1A1 P00352 1/20 0.33
GRIK1 P39086 2/20 0.32
GRIA2 P42262 2/20 0.32
GRIA4 P48058 2/20 0.32
GRIK3 Q13003 2/20 0.32
GRIK5 Q16478 2/20 0.32
GRIA1 P42261 1/20 0.32
GRIK2 Q13002 1/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31

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
SCHEMBL8726425 1.00 PTGS1 (0.37) PTGS1AKR1C3FFAR3LCKFYN
SCHEMBL16337485 0.86 FFAR3 (0.37) PTGS1AKR1C3FFAR3LCKFYN
SCHEMBL6573659 0.85
SCHEMBL21714 0.85
SCHEMBL21716 0.85
SCHEMBL27718847 0.84 PTGS1 (0.32) PTGS1AKR1C3APEX1
SCHEMBL2119773 0.84 ALDH1A1 (0.35) PTGS1AKR1C3APEX1ALDH1A1GRIK1
SCHEMBL1673409 0.82
SCHEMBL37709 0.82
SCHEMBL16245177 0.82

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-0718360-B1 Polypropylene resin composition for oriented film and oriented film of the composition SUMITOMO CHEMICAL CO (JP) 1998-03-11 EP claimed