SCHEMBL8724738

SCHEMBL8724738

Cc1ccc(S(=O)(=O)OCC(CCC(=O)OC(C)(C)C)OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.36
NR1D1 P20393 1/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
CYP24A1 Q07973 1/20 0.34
TSHR P16473 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
MMP13 P45452 1/20 0.33
RABGGTB P53611 1/20 0.33
RABGGTA Q92696 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
P2RX7 Q99572 2/20 0.33
APP P05067 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
SCHEMBL12944323 0.81 ALDH1A1 (0.43) STAT3KMT2AALDH1A1MEN1TSHR
SCHEMBL5413300 0.80 SERPINE1 (0.40) STAT3KMT2AALDH1A1MEN1TSHR
SCHEMBL7366081 0.79 STAT3 (0.42) STAT3NR1D1KMT2AALDH1A1MEN1
SCHEMBL2058187 0.79 GAA (0.42) STAT3KMT2AALDH1A1
SCHEMBL14788867 0.79 NR1D1 (0.34) NR1D1KMT2AALDH1A1MEN1CYP24A1
SCHEMBL15887428 0.79 NR1D1 (0.34) NR1D1KMT2AALDH1A1MEN1CYP24A1
SCHEMBL14777287 0.79 NR1D1 (0.34) NR1D1KMT2AALDH1A1MEN1CYP24A1
SCHEMBL11153442 0.78 ALDH1A1 (0.36) STAT3KMT2AALDH1A1MEN1CYP24A1
SCHEMBL13617344 0.78 KMT2A (0.37) STAT3NR1D1KMT2AALDH1A1MEN1
SCHEMBL15107672 0.78 ABCG2 (0.33) STAT3NR1D1KMT2AALDH1A1MEN1

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
US-5854410-A Oligonucleoside cleavage compounds and therapies GENTA INCORPORATED (US) 1998-12-29 US disclosed
WO-1995026733-A1 OLIGONUCLEOSIDE CLEAVAGE COMPOUNDS AND THERAPIES GENTA INCORPORATED (US) 1995-10-12 WO disclosed