SCHEMBL6560809

SCHEMBL6560809

CCCCC(CC)COCC(OCCOC(=O)c1ccccc1C(=O)OCCOC(COCC(CC)CCCC)OCC(CC)CCCC)OCC(CC)CCCC

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.65
CYP3A4 P08684 5/20 0.65
CA2 P00918 1/20 0.65
PRSS1 P07477 1/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59
LMNA P02545 4/20 0.57
TSHR P16473 9/20 0.50
MAPK1 P28482 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TP53 P04637 1/20 0.49
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.39

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
SCHEMBL6561112 0.98 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL17798310 0.90 ALDH1A1 (0.64) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL6560805 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL6560936 0.87 ALDH1A1 (0.82) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL17798280 0.87 ALDH1A1 (0.77) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL17798335 0.86 ALDH1A1 (0.75) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL29767321 0.84 ALDH1A1 (0.91) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL3667884 0.82 TSHR (0.63) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL22856178 0.81 ALDH1A1 (0.80) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL6406075 0.80 ALDH1A1 (0.89) ALDH1A1CYP3A4CA2PRSS1PRSS2

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-1069482-B1 Conductive roller, process cartridge and image forming apparatus CANON KK (JP) 2004-05-26 EP disclosed
US-6558781-B1 Conductive roller, process cartridge and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2003-05-06 US disclosed
EP-1069482-A2 Conductive roller, process cartridge and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2001-01-17 EP disclosed