SCHEMBL28859014

SCHEMBL28859014

CC(C)(C)OC(=O)CC[S+]([O-])c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PTPRC P08575 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCB1 P08183 1/20 0.34
HDAC3 O15379 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
SCHEMBL7868847 0.88 FFAR1 (0.38) NPC1HTTRAB9A
SCHEMBL28501343 0.86 HDAC8 (0.34) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL28955975 0.85 SMN1; SMN2 (0.36) ALDH1A1NPC1RAB9AHDAC1HSD17B10
SCHEMBL28510605 0.85 GAA (0.39) CYP2C19ALDH1A1MEN1KMT2ATSHR
SCHEMBL28507196 0.85 NPC1 (0.37) MTNR1AMTNR1BCYP2C19CTSSCTSK
SCHEMBL28506560 0.84 MAPT (0.36) MEN1KMT2AHDAC3HDAC1HDAC8
SCHEMBL3625890 0.84 MTNR1A (0.37) MTNR1AMTNR1BCYP2C19HIF1ACA12
SCHEMBL20892278 0.84 MTNR1A (0.37) MTNR1AMTNR1BCYP2C19HIF1ACA12
SCHEMBL29039867 0.84 ALDH1A1 (0.34) MTNR1AMTNR1BALDH1A1KDM4EHDAC3
SCHEMBL28510612 0.84 ELANE (0.38) CA1ALDH1A1HTTHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116621745-A (2-phenoxyphenyl) phenyl thioether compound and synthesis method thereof 华北水利水电大学 2023-08-22 CN claimed
CN-116496136-A Diaryl sulfone compound and preparation method thereof 华北水利水电大学 2023-07-28 CN claimed
CN-116496136-B Diaryl sulfone compound and preparation method thereof 华北水利水电大学 2025-08-01 CN disclosed
CN-116621745-B (2-Phenoxyphenyl) phenyl thioether compound and synthesis method thereof 华北水利水电大学 2025-06-06 CN disclosed
CN-115181051-B Preparation method of sulfoxide compound containing indole skeleton 扬州大学 2024-02-20 CN disclosed
CN-116621745-A (2-phenoxyphenyl) phenyl thioether compound and synthesis method thereof 华北水利水电大学 2023-08-22 CN disclosed
CN-116621745-A (2-phenoxyphenyl) phenyl thioether compound and synthesis method thereof 华北水利水电大学 2023-08-22 CN disclosed
CN-116496136-A Diaryl sulfone compound and preparation method thereof 华北水利水电大学 2023-07-28 CN disclosed
CN-116496136-A Diaryl sulfone compound and preparation method thereof 华北水利水电大学 2023-07-28 CN disclosed
CN-115181051-A Preparation method of sulfoxide compound containing indole skeleton 扬州大学 2022-10-14 CN disclosed