SCHEMBL8319923

SCHEMBL8319923

CC(C)(C)OC(=O)COc1cccc([S+](c2cccc(OCC(=O)OC(C)(C)C)c2)c2cccc(OCC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTPN1 P18031 1/20 0.40
ATM Q13315 1/20 0.40
CTSK P43235 1/20 0.39
OPRK1 P41145 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PPARG P37231 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
SCHEMBL8318359 0.96 MAPT (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8323037 0.93 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8319585 0.90 PTPN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8319103 0.89 MAPT (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17024452 0.88 LMNA (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3206660 0.86 MAPT (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8318994 0.84 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8648346 0.83 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8644648 0.83 PTPN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8646696 0.83 PSEN1 (0.40) 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