SCHEMBL19084453

SCHEMBL19084453

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.40
TSHR P16473 3/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL17379948 0.93 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL12668533 0.85 ALDH1A1 (0.56) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL10144651 0.83 ALDH1A1 (0.58) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL20074481 0.82 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL25879289 0.79 THRB (0.54) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL22005190 0.79 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL25959003 0.79 THRB (0.54) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL24218838 0.79 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL20001212 0.79 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27369459 0.79 ALDH1A1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180009213-A1 LITHOGRAPHIC PRINTING PLATES PRECURSORS COMPRISING A RADIATION SENSITIVE IMAGEABLE LAYER WITH A CROSSLINKED SURFACE MYLAN GROUP (VN) 2018-01-11 US disclosed
US-20170190168-A1 LITHOGRAPHIC PRINTING PLATES PRECURSORS COMPRISING A RADIATION SENSITIVE IMAGEABLE LAYER WITH A CROSSLINKED SURFACE MYLAN GROUP (VN) 2017-07-06 US disclosed