SCHEMBL1723850

SCHEMBL1723850

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TP53 P04637 3/20 0.53
HIF1A Q16665 3/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
THRB P10828 4/20 0.53
TSHR P16473 8/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.38

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
SCHEMBL9566741 0.90 ALDH1A1 (0.58) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL39919 0.89 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL23494056 0.89 LMNA (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13159854 0.87 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL29038886 0.86 TSHR (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13572513 0.84 THRB (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL29524745 0.84 LMNA (0.58) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL1353827 0.83 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL180609 0.83 ALDH1A1 (0.64) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL21391883 0.83 TSHR (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372575-B2 Ultraviolet-curing resin material for pattern transfer and magnetic recording medium manufacturing method using the same KABUSHIKI KAISHA TOSHIBA (JP) 2013-02-12 US disclosed
EP-2403911-A1 RADIATION CURABLE COATING COMPOUNDS COMPRISING DIACRYLATE BASF SE (DE) 2012-01-11 EP disclosed
US-20100230384-A1 ULTRAVIOLET-CURING RESIN MATERIAL FOR PATTERN TRANSFER AND MAGNETIC RECORDING MEDIUM MANUFACTURING METHOD USING THE SAME KABUSHIKI KAISHA TOSHIBA (JP) 2010-09-16 US disclosed
WO-2010100051-A1 RADIATION CURABLE COATING COMPOUNDS COMPRISING DIACRYLATE BASF SE (DE) 2010-09-10 WO disclosed
US-20070014018-A1 Internal components of optical device comprising hardcoat 3M INNOVATIVE PROPERTIES COMPANY 2007-01-18 US disclosed