SCHEMBL28859017

SCHEMBL28859017

CC(C)(C)OC(=O)CC[S+]([O-])c1ccc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
NR1H2 P55055 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34
NR1H3 Q13133 2/20 0.34
KDM4A O75164 1/20 0.34
KAT6A Q92794 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL28859014 0.83 MTNR1A (0.36) ALDH1A1CTSSCTSKKDM4EMEN1
SCHEMBL28506560 0.80 MAPT (0.36) GAAHPGDMEN1KMT2A
SCHEMBL28510612 0.80 ELANE (0.38) ALDH1A1
SCHEMBL28501343 0.79 HDAC8 (0.34) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL7868847 0.78 FFAR1 (0.38) ACACBSMN1; SMN2NPC1RAB9A
SCHEMBL28507196 0.78 NPC1 (0.37) CTSSCTSKSMN1; SMN2HPGDMEN1
SCHEMBL28955975 0.78 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28510605 0.78 GAA (0.39) GAAALDH1A1MEN1KMT2ANR1H3
SCHEMBL29039867 0.77 ALDH1A1 (0.34) GAAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL29039872 0.76 NR1D1 (0.39) GAAALDH1A1CTSSCTSKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181051-B Preparation method of sulfoxide compound containing indole skeleton 扬州大学 2024-02-20 CN disclosed
CN-115181051-A Preparation method of sulfoxide compound containing indole skeleton 扬州大学 2022-10-14 CN disclosed