SCHEMBL4096630

SCHEMBL4096630

C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)N=C=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 7/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.39
HPGD P15428 1/20 0.37

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
SCHEMBL17868577 0.90 THRB (0.45) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27943600 0.85 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL17868708 0.81 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL1851416 0.81 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL181576 0.81 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL29151971 0.80 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL7934785 0.79 TSHR (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid SCHEMBL31138121 0.78 ALDH1A1 (0.43) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL23378014 0.75 ALDH1A1 (0.41) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13658812 0.74 ALDH1A1 (0.40) ALDH1A1TP53HIF1ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214768-A1 PROCESS FOR PRODUCING MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-08-27 US disclosed
US-20090214768-A1 PROCESS FOR PRODUCING MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-08-27 US disclosed
US-20090214768-A1 PROCESS FOR PRODUCING MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-08-27 US disclosed