SCHEMBL3201037

SCHEMBL3201037

CC(C)(C)OC(=O)COc1cccc(OCC(=O)OC(C)(C)C)c1[S+](c1ccccc1)c1ccccc1.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

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 13/20 0.39
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ABCB11 O95342 1/20 0.36
AR P10275 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
SCHEMBL3192999 0.93 PSEN1 (0.44) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3200780 0.91 ACLY (0.42) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3188777 0.90 PSEN1 (0.42) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3183298 0.88 PSEN1 (0.44) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3202131 0.86 PSEN1 (0.46) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3190546 0.86 PSEN1 (0.44) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3199678 0.84 ACLY (0.36) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3195664 0.84 PSEN1 (0.44) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3191633 0.83 ABCB11 (0.37) PTGDR2ABCB11
SCHEMBL3199422 0.83 PSEN1 (0.46) 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