SCHEMBL20148971

SCHEMBL20148971

C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP3A4 P08684 2/20 0.46
TP53 P04637 1/20 0.46
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
THRB P10828 2/20 0.40
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
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
SCHEMBL1683986 0.90 CYP3A4 (0.54) ALDH1A1SMN1; SMN2MAPK1HIF1ACYP3A4
SCHEMBL13415051 0.86 CYP3A4 (0.47) ALDH1A1SMN1; SMN2MAPK1HIF1ACYP3A4
SCHEMBL235414 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPK1HIF1ACYP3A4
SCHEMBL15946442 0.84 THRB (0.54) ALDH1A1MAPK1HIF1ACYP3A4TP53
SCHEMBL13415048 0.82 CYP3A4 (0.44) ALDH1A1SMN1; SMN2MAPK1HIF1ACYP3A4
SCHEMBL27827307 0.81 TSHR (0.54) ALDH1A1MAPK1CYP3A4TP53ADRB2
SCHEMBL20752224 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1HIF1ACYP3A4
SCHEMBL20148974 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPK1HIF1ACYP3A4
SCHEMBL14181299 0.79 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPK1HIF1ACYP3A4
SCHEMBL13917103 0.78 MAPK1 (0.57) ALDH1A1SMN1; SMN2MAPK1HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134929-A1 ADHESIVE COMPOSITION FOR TOUCH SENSOR AND OPTICAL LAMINATE USING THE SAME DONGWOO FINE-CHEM CO., LTD. (KR) 2018-05-17 US disclosed