SCHEMBL4279142

SCHEMBL4279142

[CH]=C(OCOCC(CC)CCCC)c1cc[c]c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAPK1 P28482 3/20 0.38
TSHR P16473 3/20 0.38
CYP3A4 P08684 4/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 3/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ATM Q13315 1/20 0.33
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 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
SCHEMBL178113 0.91 ALDH1A1 (0.44) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL2965177 0.82 ALDH1A1 (0.44) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL55940 0.80 ALDH1A1 (0.39) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL4560099 0.80 ALDH1A1 (0.39) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL3295040 0.75 ALDH1A1 (0.41) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL5923588 0.72 ALDH1A1 (0.45) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL3900949 0.70 ALDH1A1 (0.35) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL1193721 0.69 ALDH1A1 (0.42) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL3457667 0.69
SCHEMBL2965695 0.68 ESR1 (0.39) MAPK1TSHRCYP3A4LMNATDP1

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-20090074974-A1 Method for Manufacturing Organic Functional Layer and Organic Functional Device, and Organic Functional Device Manufacturing Apparatus TOPPAN PRINTING CO. (JP) 2009-03-19 US disclosed
US-20070210705-A1 Organic electroluminescent element and manufacturing method of an organic electroluminescent element and a display TOPPAN PRINTING CO., LTD. (JP) 2007-09-13 US disclosed