SCHEMBL3201825

SCHEMBL3201825

CC(C)(C)OC(=O)COc1cccc(OCC(=O)OC(C)(C)C)c1S(OS(=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)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
HPGD P15428 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.34
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
ITGB1 P05556 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
SCHEMBL3188948 0.91 CYP2C9 (0.44) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3189163 0.88 ACLY (0.36) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3190169 0.88 ACLY (0.36) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3188782 0.88 PSEN1 (0.42) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3200793 0.87 PSEN1 (0.44) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3192050 0.86 ACLY (0.36) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3191727 0.85 PSEN1 (0.44) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3193989 0.85 PSEN1 (0.43) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3193033 0.84 PSEN1 (0.45) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL3201056 0.84 PSEN1 (0.41) 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