SCHEMBL29084498

SCHEMBL29084498

COC(=O)c1ccc(OCCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
RAB9A P51151 1/20 0.57
PSMD10 O75832 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA9 Q16790 1/20 0.51
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 2/20 0.48
STAT3 P40763 1/20 0.47
KMT2A Q03164 3/20 0.46
EGFR P00533 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL13252835 0.96 MAPT (0.58) MAPTRAB9APSMD10TDP1L3MBTL1
SCHEMBL30325035 0.96 MAPT (0.58) MAPTRAB9APSMD10TDP1L3MBTL1
SCHEMBL30325226 0.96 MAPT (0.58) MAPTRAB9APSMD10TDP1L3MBTL1
SCHEMBL29768658 0.94 PSMD10 (0.59) MAPTRAB9APSMD10TDP1L3MBTL1
SCHEMBL29768597 0.92 PSMD10 (0.58) MAPTRAB9APSMD10TDP1L3MBTL1
SCHEMBL11111198 0.86 STAT3 (0.59) L3MBTL1CA12CA1CA9ALDH1A1
SCHEMBL8069545 0.86 CA12 (0.63) L3MBTL1CA12CA1CA9LMNA
SCHEMBL13873578 0.85 GAA (0.54) MAPTTDP1L3MBTL1CA12CA1
SCHEMBL13252830 0.85 CA12 (0.47) MAPTRAB9APSMD10TDP1L3MBTL1
SCHEMBL29084505 0.85 TCF4 (0.53) MAPTRAB9APSMD10CA12CA1

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-116438177-A Targeted chimeric compounds, pharmaceutical compositions containing same, and preparation methods and uses thereof 江苏亚虹医药科技股份有限公司 2023-07-14 CN disclosed
WO-2022161166-A1 TARGETING CHIMERIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏亚虹医药科技股份有限公司 2022-08-04 WO disclosed