SCHEMBL4632473

SCHEMBL4632473

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

nearest known ligand 0.53

Predicted protein targets (top 10)

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
TSHR P16473 8/20 0.45
THRB P10828 3/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL28497298 0.85 ALDH1A1 (0.41) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL28131094 0.84 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL28548904 0.82 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL15268464 0.82 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL262028 0.80 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL19660295 0.80 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL39919 0.80 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL285659 0.80 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
Trimethylammonium SCHEMBL27813536 0.79 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL222072 0.79 ALDH1A1 (0.48) 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-1927889-A1 Lithographic printing plate precursor FUJIFILM Corporation (JP) 2008-06-04 EP disclosed
US-6558873-B1 Interlayer containing a compound capable of forming a complex with aluminum and a photopolymerizable photosensitive layer containing a photopolymerization initiator, an addition polymerizable compound capable of complexing with aluminum FUJI PHOTO FILM CO., LTD. (JP) 2003-05-06 US disclosed
EP-1091251-A2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2001-04-11 EP disclosed