SCHEMBL3201811

SCHEMBL3201811

CC(C)(C)OC(=O)COc1cccc(OCC(=O)OC(C)(C)C)c1[S+](c1ccccc1)c1ccccc1.O=S(=O)([O-])c1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.38
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
PTPN1 P18031 1/20 0.35
MAPT P10636 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGDR2 Q9Y5Y4 9/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL3188941 0.92 MAPT (0.42) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3190154 0.89 PTPN1 (0.36) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3189150 0.88 PTPN1 (0.36) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3188777 0.87 PSEN1 (0.42) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3200780 0.87 ACLY (0.42) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3192036 0.86 PTPN1 (0.37) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3193982 0.86 PSEN1 (0.39) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3193019 0.84 PSEN1 (0.41) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3191711 0.84 PSEN1 (0.40) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3189641 0.84 HPGD (0.43) ACLYPSEN1PSEN2APH1BNCSTN

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