SCHEMBL9426953

SCHEMBL9426953

Cc1ccc(S(=O)(=O)OC[C@@]2(C)COC(C)(C)O2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
VDR P11473 1/20 0.34
CYP2D6 P10635 2/20 0.33
LMNA P02545 2/20 0.33
ELANE P08246 1/20 0.33
PRTN3 P24158 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 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
SCHEMBL3386292 1.00 STAT3 (0.36) STAT3CA12CA1CA9KMT2A
SCHEMBL9426947 1.00 STAT3 (0.36) STAT3CA12CA1CA9KMT2A
SCHEMBL5535445 0.88 STAT3 (0.40) STAT3CA12CA1CA9KMT2A
SCHEMBL3807712 0.88 STAT3 (0.40) STAT3CA12CA1CA9KMT2A
SCHEMBL3807715 0.88 STAT3 (0.40) STAT3CA12CA1CA9KMT2A
SCHEMBL8960754 0.87 KMT2A (0.39) STAT3CA12CA1CA9KMT2A
SCHEMBL8961169 0.87 KMT2A (0.39) STAT3CA12CA1CA9KMT2A
SCHEMBL8960744 0.87 KMT2A (0.39) STAT3CA12CA1CA9KMT2A
SCHEMBL23539439 0.86 CA12 (0.39) STAT3CA12CA1CA9KMT2A
SCHEMBL1896971 0.86 CA12 (0.39) STAT3CA12CA1CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283346-A Chemical intermediate for vitamin e HOFFMANN-LA ROCHE INC. (US) 1994-02-01 US claimed
US-5283346-A Chemical intermediate for vitamin e HOFFMANN-LA ROCHE INC. (US) 1994-02-01 US disclosed
US-5232852-A Enzymatic hydrolysis utilizing a lipase HOFFMANN-LA ROCHE INC. (US) 1993-08-03 US disclosed