SCHEMBL30173247

SCHEMBL30173247

CC(CN(CCO)CCO)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30

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
Water SCHEMBL30441965 0.76 SCN1A (0.34) GAA
SCHEMBL26035823 0.76 KDM4E (0.34) KDM4EALDH1A1LMNAGAATSHR
Sulfamate SCHEMBL30352816 0.75 TSHR (0.32) KDM4EALDH1A1LMNATSHR
SCHEMBL26137931 0.75 ALDH1A1 (0.33) KDM4EALDH1A1
SCHEMBL7616906 0.75
SCHEMBL26137971 0.72 ALDH1A1 (0.32) KDM4EALDH1A1
SCHEMBL11142119 0.72 KDM4E (0.30) KDM4EALDH1A1LMNA
Sulfamate SCHEMBL30352799 0.72 KDM4E (0.30) KDM4EALDH1A1LMNA
SCHEMBL26306242 0.72 ALDH1A1 (0.33) KDM4EALDH1A1LMNAGAA
SCHEMBL5913713 0.72 ALDH1A1 (0.32) ALDH1A1

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-115768413-A Methods and compositions for treating and combating tuberculosis 三十呼吸有限公司 2023-03-07 CN disclosed