SCHEMBL28660459

SCHEMBL28660459

C=CC(=O)OCC(C)OCC(C)OCCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
PSMD10 O75832 1/20 0.37
STAT3 P40763 2/20 0.36
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 4/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CYP24A1 Q07973 3/20 0.33
DHODH Q02127 1/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL13332086 0.84 TSHR (0.45) TSHRPSMD10STAT3CYP3A4ALDH1A1
SCHEMBL1933322 0.81 TSHR (0.49) TSHRPSMD10STAT3CYP3A4ALDH1A1
SCHEMBL10033248 0.80 TSHR (0.49) TSHRSTAT3CYP3A4ALDH1A1DHODH
SCHEMBL29316353 0.80 TSHR (0.51) TSHRPSMD10STAT3CYP3A4ALDH1A1
SCHEMBL4594786 0.78 THRB (0.44) TSHRPSMD10STAT3CYP3A4ALDH1A1
SCHEMBL5968386 0.75 ALDH1A1 (0.51) TSHRPSMD10STAT3CYP3A4ALDH1A1
SCHEMBL12285575 0.75 ALDH1A1 (0.51) TSHRPSMD10STAT3CYP3A4ALDH1A1
SCHEMBL28013354 0.74 STAT3 (0.43) STAT3ALDH1A1GAAKMT2ANPSR1
SCHEMBL2564478 0.74 CYP3A4 (0.46) TSHRPSMD10STAT3CYP3A4ALDH1A1
SCHEMBL18161753 0.73 CA12 (0.41) PSMD10STAT3CYP3A4ALDH1A1CA12

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-113698382-B Novel thioxanthone visible light initiator and preparation method and application thereof 武汉大学 2022-06-14 CN disclosed
CN-113698382-A Novel thioxanthone visible light initiator and preparation method and application thereof 武汉大学 2021-11-26 CN disclosed