SCHEMBL8320136

SCHEMBL8320136

CC(C)(C)OC(=O)COc1ccc(S(OS(C)(=O)=O)(c2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.50
PSEN2 P49810 2/20 0.50
APH1B Q8WW43 2/20 0.50
NCSTN Q92542 2/20 0.50
APH1A Q96BI3 2/20 0.50
PSENEN Q9NZ42 2/20 0.50
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTPN1 P18031 1/20 0.44
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.40
GPR119 Q8TDV5 3/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 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
SCHEMBL8319093 0.95 PTPN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8322611 0.92 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8081860 0.85 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8862196 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8323039 0.84 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8069409 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3190524 0.84 PTPN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8862149 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8319587 0.84 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23208280 0.82 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A

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-5880169-A HAVING HIGH RESOLUTION FOR FINE PATTERNING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-09 US disclosed