SCHEMBL8924547

SCHEMBL8924547

Cc1ccc(S(=O)(=O)OCC2SC(C)(C)SC2C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
MMP2 P08253 1/20 0.36
TAS2R14 Q9NYV8 2/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CYP2D6 P10635 1/20 0.34
PPARG P37231 1/20 0.34
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8919937 0.89 MMP2 (0.40) STAT3CTDSP1SIRT5ALDH1A1KMT2A
SCHEMBL29117143 0.71 STAT3 (0.43) STAT3CTDSP1SIRT5ALDH1A1KMT2A
SCHEMBL8314106 0.71 STAT3 (0.35) STAT3ALDH1A1KMT2ACYP2C9CA1
SCHEMBL17709993 0.71 STAT3 (0.39) STAT3CTDSP1SIRT5ALDH1A1KMT2A
SCHEMBL17815986 0.70 ALDH1A1 (0.49) STAT3CTDSP1SIRT5ALDH1A1KMT2A
SCHEMBL28904679 0.70 CA1 (0.47) STAT3CTDSP1SIRT5ALDH1A1KMT2A
SCHEMBL5448951 0.70 CYP3A4 (0.42) STAT3CTDSP1SIRT5ALDH1A1KMT2A
SCHEMBL20501797 0.69 ALDH1A1 (0.61) STAT3ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL21987513 0.69 STAT3 (0.41) STAT3CTDSP1SIRT5ALDH1A1KMT2A
SCHEMBL21987509 0.69 STAT3 (0.41) STAT3CTDSP1SIRT5ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684137-A TECHNETIUM AND RHENIUM LABELS FOR LIGANDS AND PROTEINS NEORX CORPORATION (US) 1997-11-04 US disclosed