SCHEMBL5583873

SCHEMBL5583873

C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C.CCC(CO)(CO)CO

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.75
TP53 P04637 3/20 0.75
HIF1A Q16665 3/20 0.75
CYP3A4 P08684 2/20 0.75
MAPK1 P28482 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
THRB P10828 3/20 0.57
TSHR P16473 8/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL16238524 1.00 ALDH1A1 (0.75) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9514619 0.96 ALDH1A1 (0.81) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL2470335 0.96 ALDH1A1 (0.75) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL134216 0.94 ALDH1A1 (0.78) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL22264522 0.94 ALDH1A1 (0.78) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9577936 0.94 ALDH1A1 (0.78) ALDH1A1TP53HIF1ACYP3A4MAPK1
Formaldehyde SCHEMBL23716978 0.93 ALDH1A1 (0.75) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL17685546 0.93 ALDH1A1 (0.75) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL5278958 0.93 ALDH1A1 (0.75) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid SCHEMBL9385699 0.91 ALDH1A1 (0.73) 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
EP-1784302-A2 ENCAPSULATED CURE SYSTEMS Appleton Papers Inc. (US) 2007-05-16 EP disclosed
WO-2006028806-A2 ENCAPSULATED CURE SYSTEMS APPLETON PAPERS INC. (US) 2006-03-16 WO disclosed
US-4070258-A Dual cure cathodic electrocoating compositions SCM CORPORATION (US) 1978-01-24 US disclosed