SCHEMBL29754167

SCHEMBL29754167

CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.37
HSD17B2 P37059 1/20 0.37
NLRP3 Q96P20 1/20 0.35
NR4A1 P22736 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APP P05067 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL453181 1.00 NR1I2 (0.37) NR1I2HSD17B2NLRP3NR4A1ALDH1A1
SCHEMBL5442126 0.96 NR1I2 (0.39) NR1I2HSD17B2NLRP3NR4A1ALDH1A1
SCHEMBL450356 0.90 NR4A1 (0.39) NR4A1ALDH1A1HPGDKDM4EMAPT
SCHEMBL3205020 0.88 ALDH1A1 (0.37) NR4A1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2898295 0.85 NR4A1 (0.40) NR4A1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2900933 0.85 PPARG (0.32) NR4A1ALDH1A1HPGDKDM4EMAPT
SCHEMBL3195405 0.84 TDP1 (0.39) NR4A1ALDH1A1KDM4EMAPTTDP1
SCHEMBL3202140 0.84 NR4A1 (0.33) NR4A1ALDH1A1HPGDKDM4EMAPT
SCHEMBL3199446 0.84 NR4A1 (0.33) NR4A1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2904056 0.83 NR4A1 (0.33) NR4A1ALDH1A1HPGDKDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114975098-A Nanoimprint liquid material, method for producing pattern of cured product, and method for producing circuit board 佳能株式会社 2022-08-30 CN disclosed
CN-107251193-B Nanoimprint liquid material, method for producing pattern of cured product, method for producing optical component, and method for producing circuit board 佳能株式会社 2022-06-21 CN disclosed