SCHEMBL3203558

SCHEMBL3203558

CC(C)(C)OC(=O)COc1cc([S+](c2ccccc2)c2ccccc2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ACLY P53396 3/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PTPN1 P18031 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSK P43235 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 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
SCHEMBL3206766 0.90 MAPT (0.43) HPGDMAPTPOLBLMNACYP2C9
SCHEMBL3195163 0.90 MAPT (0.44) HPGDMAPTPOLBLMNACYP2C9
SCHEMBL3206974 0.88 MAPT (0.43) HPGDMAPTPOLBLMNACYP2C9
SCHEMBL3193532 0.86 MTNR1A (0.45) HPGDMAPTPOLBLMNACYP2C9
SCHEMBL3191928 0.86 MAPT (0.42) HPGDMAPTPOLBLMNACYP2C9
SCHEMBL3203520 0.86 MTNR1A (0.47) HPGDMAPTPOLBCYP2C9CYP2C19
SCHEMBL3201103 0.86 MAPT (0.42) HPGDMAPTPOLBLMNACYP2C9
SCHEMBL3203339 0.85 MAPT (0.43) HPGDMAPTPOLBLMNACYP2C9
SCHEMBL8323320 0.81 PTPN1 (0.51) HPGDMAPTPOLBLMNACYP2C9
SCHEMBL133377 0.81 PTPN1 (0.51) HPGDMAPTPOLBLMNACYP2C9

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