SCHEMBL6836976

SCHEMBL6836976

CCCCC(CC)COC(=[C]C#N)C=Cc1cc[c]c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 5/20 0.36
LMNA P02545 4/20 0.36
MAPK1 P28482 3/20 0.36
CYP3A4 P08684 3/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ATM Q13315 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31

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
SCHEMBL3295040 0.79 ALDH1A1 (0.41) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL178113 0.71 ALDH1A1 (0.44) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL3232509 0.68 TDP1 (0.72) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL3232512 0.68 TDP1 (0.72) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL2478551 0.68 TDP1 (0.38) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL4551543 0.68 TDP1 (0.35) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL45309 0.67 ALDH1A1 (0.36) TDP1ALDH1A1LMNAMAPK1CYP3A4
SCHEMBL5207888 0.65 AHR (0.34)
SCHEMBL5207900 0.65 AHR (0.34)
SCHEMBL18078300 0.65 TDP1 (0.73) TDP1ALDH1A1MAPK1TSHRHSD17B10

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-20040208990-A1 Coating liquid for forming organic LED layer and method of manufacturing organic LED device using it SHARP KABUSHIKI KAISHA (JP) 2004-10-21 US disclosed
US-20010003602-A1 Coating liquid for forming organic led layer and method of manufacturing organic led device using it SHARP KABUSHIKI KAISHA (JP) 2001-06-14 US disclosed