SCHEMBL28528952

SCHEMBL28528952

Cc1ccc(S(=O)(=O)OCCOCC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 7/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
STAT3 P40763 2/20 0.39
GAA P10253 1/20 0.38
PSMD10 O75832 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
VDR P11473 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CYP2D6 P10635 2/20 0.35

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
SCHEMBL12204994 0.89 CA12 (0.47) CA12CA1CA9ALDH1A1MEN1
SCHEMBL3508018 0.88 ALDH1A1 (0.45) CA12CA1CA9ALDH1A1MEN1
SCHEMBL7906895 0.87 CA12 (0.46) CA12CA1CA9ALDH1A1MEN1
SCHEMBL7904541 0.87 CA12 (0.46) CA12CA1CA9ALDH1A1MEN1
SCHEMBL14828624 0.86 CA12 (0.41) CA12CA1CA9ALDH1A1MEN1
SCHEMBL1145153 0.86 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1MEN1
SCHEMBL4379133 0.86 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1MEN1
SCHEMBL18613994 0.86 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1MEN1
SCHEMBL881292 0.86 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1MEN1
SCHEMBL478342 0.86 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1MEN1

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
CN-112334509-A Transesterification process for the simultaneous production of at least two different types of polycarbonate in a production plant 科思创知识产权两合公司 2021-02-05 CN disclosed