SCHEMBL9056217

SCHEMBL9056217

C=CCOCC(C)(CO)C(=O)OCC=C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 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
SCHEMBL782365 0.87 TSHR (0.39) TDP1CYP3A4ALDH1A1TP53MAPK1
SCHEMBL17678816 0.85 CYP3A4 (0.33) TDP1CYP3A4ALDH1A1TP53MAPK1
SCHEMBL10033540 0.82 TSHR (0.40) TDP1CYP3A4ALDH1A1TP53MAPK1
SCHEMBL12284015 0.79 TSHR (0.37) TDP1CYP3A4ALDH1A1TP53MAPK1
SCHEMBL12752001 0.78 TSHR (0.40) TDP1CYP3A4ALDH1A1TP53MAPK1
SCHEMBL29781936 0.76 THRB (0.33) ALDH1A1TP53HIF1ATSHR
SCHEMBL8678916 0.76 TSHR (0.39) TDP1CYP3A4ALDH1A1TP53MAPK1
SCHEMBL21340475 0.76 TSHR (0.38) TDP1HIF1ATSHR
SCHEMBL11012846 0.76 TSHR (0.43) TDP1CYP3A4ALDH1A1SMN1; SMN2TSHR
SCHEMBL1361080 0.76 CYP3A4 (0.41) TDP1CYP3A4ALDH1A1MAPK1SMN1; SMN2

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
WO-1996013558-A1 UNSATURATED BINDER COMPOSITION PERSTORP AB (SE) 1996-05-09 WO claimed
WO-1996013558-A1 UNSATURATED BINDER COMPOSITION PERSTORP AB (SE) 1996-05-09 WO disclosed