SCHEMBL3195296

SCHEMBL3195296

Cc1ccc([S+](c2ccccc2)c2ccccc2)c(OCC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
HPGD P15428 3/20 0.42
CYP2C9 P11712 3/20 0.42
MAPT P10636 3/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
ACLY P53396 1/20 0.38
LMNA P02545 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL3193941 0.90 PTGDR2 (0.43) POLBHPGDCYP2C9MAPTCYP2C19
SCHEMBL3200056 0.88 HPGD (0.42) POLBHPGDCYP2C9MAPTCYP2C19
SCHEMBL3181640 0.88 MAPT (0.49) POLBHPGDCYP2C9MAPTCYP2C19
SCHEMBL30440133 0.86 POLB (0.43) POLBHPGDCYP2C9MAPTCYP2C19
SCHEMBL3192431 0.86 POLB (0.45) POLBHPGDCYP2C9MAPTCYP2C19
SCHEMBL3203304 0.86 HPGD (0.45) POLBHPGDCYP2C9MAPTCYP2C19
SCHEMBL3194016 0.81 DDB1 (0.47) POLBHPGDCYP2C9MAPTCYP2C19
SCHEMBL2624958 0.81 HPGD (0.40) POLBHPGDCYP2C9MAPTCYP2C19
SCHEMBL3199978 0.81 MAPT (0.45) POLBHPGDCYP2C9MAPTCYP2C19
SCHEMBL3203010 0.81 MAPT (0.45) POLBHPGDCYP2C9MAPTCYP2C19

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