SCHEMBL9205825

SCHEMBL9205825

Cc1ccc(S(=O)(=O)OC2COC(C)(C)O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
GAA P10253 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CA2 P00918 2/20 0.36
VDR P11473 1/20 0.36
STS P08842 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 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
SCHEMBL13362393 1.00 CYP2D6 (0.43) CYP2D6CYP1A2KMT2ASMN1; SMN2HTT
SCHEMBL1063303 1.00 CYP2D6 (0.43) CYP2D6CYP1A2KMT2ASMN1; SMN2HTT
SCHEMBL15506544 0.84 CYP2D6 (0.49) CYP2D6CYP1A2KMT2ASMN1; SMN2HTT
SCHEMBL4432332 0.82 CYP2D6 (0.49) CYP2D6CYP1A2KMT2ASMN1; SMN2GAA
SCHEMBL4432327 0.82 CYP2D6 (0.49) CYP2D6CYP1A2KMT2ASMN1; SMN2GAA
SCHEMBL31410080 0.82 CYP2D6 (0.49) CYP2D6CYP1A2KMT2ASMN1; SMN2GAA
SCHEMBL4433801 0.82 CYP2D6 (0.49) CYP2D6CYP1A2KMT2ASMN1; SMN2GAA
SCHEMBL562062 0.80 CA2 (0.58) CYP2D6KMT2ASMN1; SMN2HTTCYP3A4
SCHEMBL898388 0.80 CA2 (0.58) CYP2D6KMT2ASMN1; SMN2HTTCYP3A4
SCHEMBL411517 0.80 CA2 (0.58) CYP2D6KMT2ASMN1; SMN2HTTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 CN disclosed
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed
EP-0425209-B1 Naphthyloxazolidone derivatives TANABE SEIYAKU CO (JP) 1995-05-10 EP disclosed
US-5332754-A Antidepressant TANABE SEIYAKU CO., LTD. (JP) 1994-07-26 US disclosed
US-5182296-A Antidepressants TANABE SEIYAKY CO., LTD. (JP) 1993-01-26 US disclosed
EP-0425209-A2 Naphthyloxazolidone derivatives TANABE SEIYAKU CO., LTD. (JP) 1991-05-02 EP disclosed