SCHEMBL7538005

SCHEMBL7538005

O=C1NC(C(=O)O)(C(=O)O)CO1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.32
S1PR1 P21453 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
SCHEMBL2966248 0.74 MGLL (0.35) MGLL
SCHEMBL8903081 0.70 ITGB3 (0.36)
SCHEMBL21645378 0.70 S1PR1 (0.35) S1PR1
SCHEMBL8902871 0.69 ITGB3 (0.34)
SCHEMBL23752878 0.66 MGLL (0.51) MGLL
SCHEMBL22283632 0.66 MGLL (0.45) MGLL
SCHEMBL19409562 0.66 MGLL (0.51) MGLL
Acetic Acid SCHEMBL21641089 0.66 MGLL (0.39) MGLL
SCHEMBL10428540 0.65
SCHEMBL10702630 0.64 HDAC1 (0.32)

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
WO-2002028345-A2 ALDEHYDE-RELEASING COMPOUNDS LA TROBE UNIVERSITY (AU) 2002-04-11 WO disclosed