SCHEMBL14747835

SCHEMBL14747835

Cc1ccc(S(=O)(=O)OCC(OC(C)O)C(O)CO)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
STAT3 P40763 2/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
APP P05067 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MDM2 Q00987 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
SCHEMBL16152049 0.90 DHODH (0.36) DHODHSTAT3ALDH1A1CYP3A4CYP2C19
SCHEMBL8424459 0.86 DHODH (0.39) DHODHSTAT3ALDH1A1CYP3A4CYP2C19
SCHEMBL7161177 0.80 STAT3 (0.40) DHODHSTAT3ALDH1A1CYP3A4CYP2C19
SCHEMBL27453797 0.80 STAT3 (0.40) DHODHSTAT3ALDH1A1CYP3A4CYP2C19
SCHEMBL1730532 0.79 STAT3 (0.46) DHODHSTAT3ALDH1A1CYP3A4CYP2C19
SCHEMBL70900 0.79 STAT3 (0.46) DHODHSTAT3ALDH1A1CYP3A4CYP2C19
SCHEMBL70901 0.79 STAT3 (0.46) DHODHSTAT3ALDH1A1CYP3A4CYP2C19
SCHEMBL2548351 0.78 STAT3 (0.43) DHODHSTAT3ALDH1A1CYP3A4CYP2C19
SCHEMBL9756774 0.78 STAT3 (0.43) DHODHSTAT3ALDH1A1CYP3A4CYP2C19
SCHEMBL4621606 0.78 STAT3 (0.43) DHODHSTAT3ALDH1A1CYP3A4CYP2C19

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
EP-1578771-B1 Remodeling and glycoconjugation of peptides NOVO NORDISK AS (DK) 2013-03-06 EP disclosed