SCHEMBL28808028

SCHEMBL28808028

CCC(=O)OC.S=c1[nH]c2ccccc2o1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 8/20 0.60
▸ KDM4E B2RXH2 5/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ GAA P10253 2/20 0.60
▸ MAPT P10636 3/20 0.40
▸ OGT O15294 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ EGFR P00533 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ MYC P01106 1/20 0.37
▸ SRC P12931 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL97140 0.78 PSMB8 (1.00) PSMB8KDM4EALDH1A1GAAMAPT
SCHEMBL30834681 0.78 PSMB8 (1.00) PSMB8KDM4EALDH1A1GAAMAPT
Phosphoric Acid SCHEMBL10490351 0.75 PSMB8 (0.78) PSMB8KDM4EALDH1A1GAAMAPT
SCHEMBL1094737 0.68 PSMB8 (0.78) PSMB8KDM4EALDH1A1GAAMAPT
Catechol SCHEMBL27771969 0.67 TSHR (0.50) KDM4EALDH1A1GAAMAPTKMT2A
Biphenyl SCHEMBL11806686 0.67 SMN1; SMN2 (0.53) KDM4EALDH1A1GAAMAPTMEN1
Indole SCHEMBL351221 0.67 TRPA1 (0.55) KDM4EALDH1A1MAPTHSD17B10SMN1; SMN2
Hydroquinone SCHEMBL29000797 0.66 CA12 (0.52) ALDH1A1MAPTMEN1KMT2AHSD17B10
Benzene SCHEMBL27929884 0.66 TSHR (0.50) KDM4EALDH1A1GAAMAPTKMT2A
Phenol SCHEMBL7218267 0.66 ESRRB (0.50) KDM4EALDH1A1GAASMN1; SMN2POLB

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-114853555-B Synthesis process of asymmetric disulfide compound 南京师范大学 2024-07-02 — — CN disclosed
CN-114853555-A Synthesis process of asymmetric disulfide compound 南京师范大学 2022-08-05 — — CN disclosed
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