SCHEMBL3203010

SCHEMBL3203010

CC(C)(C)OC(=O)COc1ccc([S+](c2ccccc2)c2ccccc2)c(OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
PTPN1 P18031 3/20 0.41
LMNA P02545 1/20 0.41
ACLY P53396 2/20 0.37
CTSK P43235 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PTPN7 P35236 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL3181640 0.93 MAPT (0.49) MAPTHPGDPOLBCYP2C9CYP2C19
SCHEMBL3190064 0.91 MAPT (0.43) MAPTHPGDPOLBCYP2C9CYP2C19
SCHEMBL3199978 0.91 MAPT (0.45) MAPTHPGDPOLBCYP2C9CYP2C19
SCHEMBL3203304 0.91 HPGD (0.45) MAPTHPGDPOLBCYP2C9CYP2C19
SCHEMBL3190437 0.87 MAPT (0.50) MAPTHPGDPOLBCYP2C9CYP2C19
SCHEMBL3192431 0.86 POLB (0.45) MAPTHPGDPOLBCYP2C9CYP2C19
SCHEMBL3204415 0.86 PSEN1 (0.43) MAPTHPGDPOLBCYP2C9CYP2C19
SCHEMBL9947574 0.86 MAPT (0.47) MAPTHPGDPOLBCYP2C9CYP2C19
SCHEMBL3204820 0.84 MAPT (0.43) MAPTHPGDPOLBCYP2C9CYP2C19
SCHEMBL3181577 0.84 PTPN1 (0.43) MAPTHPGDPOLBCYP2C9CYP2C19

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 7 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
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US disclosed