SCHEMBL3200780

SCHEMBL3200780

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)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.42
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
PTGDR2 Q9Y5Y4 12/20 0.37
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 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
PTPN1 P18031 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL3195664 0.93 PSEN1 (0.44) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3201037 0.91 ACLY (0.42) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3188777 0.88 PSEN1 (0.42) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3201242 0.88 PSEN1 (0.44) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3201811 0.87 ACLY (0.38) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3190150 0.86 PSEN1 (0.46) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3202361 0.86 PSEN1 (0.44) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3190154 0.86 PTPN1 (0.36) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3189150 0.85 PTPN1 (0.36) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3192999 0.84 PSEN1 (0.44) 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 4 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-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed