SCHEMBL3192999

SCHEMBL3192999

CC(C)(C)OC(=O)COc1cc(OCC(=O)OC(C)(C)C)c([S+](c2ccccc2)c2ccccc2)c(OCC(=O)OC(C)(C)C)c1.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

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
ACLY P53396 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGDR2 Q9Y5Y4 11/20 0.38
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
PTPN1 P18031 1/20 0.35
LMNA P02545 1/20 0.35
ABCB11 O95342 1/20 0.35

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
SCHEMBL3201037 0.93 ACLY (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3183298 0.91 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3195664 0.91 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3199422 0.91 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3202131 0.90 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3190546 0.90 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3188941 0.85 MAPT (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3200780 0.84 ACLY (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3200065 0.84 MAPT (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3202177 0.83 MAPT (0.44) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed