SCHEMBL6561331

SCHEMBL6561331

CCCCCCCOC(C)(OCCCCCCC)OC(C)OC(C)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 4/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
PTPN11 Q06124 2/20 0.41
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
PLK1 P53350 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
PTPN1 P18031 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 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
SCHEMBL6560952 1.00 ALDH1A1 (0.56) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6562485 1.00 ALDH1A1 (0.56) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL1189460 0.96 ALDH1A1 (0.52) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6561288 0.94 ALDH1A1 (0.59) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6561120 0.94 ALDH1A1 (0.59) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6561267 0.94 ALDH1A1 (0.59) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL3667886 0.90 ALDH1A1 (0.55) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28540372 0.80 PLA2G4B (0.40) TSHRTP53PTPN11POLBKMT2A
SCHEMBL6561221 0.80 ALDH1A1 (0.56) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6561483 0.80 ALDH1A1 (0.56) ALDH1A1TSHRLMNACYP3A4MAPK1

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