SCHEMBL3204931

SCHEMBL3204931

Cc1cccc(OCC(=O)OC(C)(C)C)c1[S+](c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
NOTUM Q6P988 1/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL3189641 0.92 HPGD (0.43) DDB1CRBNMAPTHPGDPOLB
SCHEMBL3190419 0.88 POLB (0.44) DDB1CRBNMAPTHPGDPOLB
SCHEMBL3193992 0.88 HPGD (0.40) DDB1CRBNMAPTHPGDPOLB
SCHEMBL3190835 0.88 HPGD (0.40) DDB1CRBNMAPTHPGDPOLB
SCHEMBL3194016 0.82 DDB1 (0.47) DDB1CRBNMAPTHPGDPOLB
SCHEMBL30440133 0.82 POLB (0.43) DDB1CRBNMAPTHPGDPOLB
SCHEMBL3194034 0.81 HPGD (0.54) DDB1CRBNMAPTHPGDPOLB
SCHEMBL3203356 0.81 MAPT (0.46) MAPTHPGDPOLBCYP2C9CYP2C19
SCHEMBL7862085 0.81 NOTUM (0.53) DDB1CRBNMAPTCYP2C9CYP2C19
SCHEMBL3192036 0.81 PTPN1 (0.37) DDB1CRBNMAPTHPGDPOLB

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