SCHEMBL11516844

SCHEMBL11516844

CC(O)C(=O)OS(=O)(=O)O.[MgH2]

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.31
CA2 P00918 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
SCHEMBL7799793 0.97 TP53 (0.36) TP53CA14CA12CA2
SCHEMBL17181730 0.95 TP53 (0.35) TP53CA14CA12CA2
SCHEMBL28131106 0.95 TP53 (0.35) TP53CA14CA12CA2
Ammonia Solution, Strong SCHEMBL8948930 0.95 TP53 (0.35) TP53CA14CA12CA2
SCHEMBL6394829 0.95 TP53 (0.35) TP53CA14CA12CA2
SCHEMBL27828143 0.95 TP53 (0.35) TP53CA14CA12CA2
Hydrochloric Acid SCHEMBL14976629 0.91 TP53 (0.32) TP53CA14
SCHEMBL27661473 0.79 TARS1 (0.33) CA14
SCHEMBL28191558 0.79 TP53 (0.38) TP53CA14CA12
SCHEMBL866237 0.79 CA14 (0.36) CA14CA12CA2

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-105018538-B A method of magnesium lactate is produced based on crystallisation Integrated process 北京化工大学 2018-10-23 CN disclosed
US-4152431-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1979-05-01 US disclosed