SCHEMBL17005

SCHEMBL17005

Cc1ccc(S(=O)(=O)OCC2(C)CCC(F)(F)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
STAT3 P40763 1/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
CA9 Q16790 4/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 3/20 0.35
VDR P11473 1/20 0.35
TSHR P16473 1/20 0.35
CA1 P00915 3/20 0.34
CA7 P43166 2/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL16641783 0.92 KMT2A (0.49) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL17316452 0.86 KMT2A (0.40) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL18213 0.86 KMT2A (0.54) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL3598688 0.86 KMT2A (0.50) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL17902 0.84 KMT2A (0.53) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL26906068 0.84 STAT3 (0.39) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL17386324 0.82 KMT2A (0.42) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL10171744 0.82 CYP3A4 (0.48) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL17525344 0.81 ALDH1A1 (0.41) KMT2ASMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL21768407 0.81 KMT2A (0.43) KMT2ASMN1; SMN2STAT3GAAALDH1A1

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
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed