SCHEMBL12533296

SCHEMBL12533296

CC(C)(O)COS(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1889753 0.81 CA2 (0.33) CA2
SCHEMBL17469828 0.81 CA2 (0.33) CA2
SCHEMBL9177881 0.81 CYP2C19 (0.36) CA2
SCHEMBL21025314 0.79 USP2 (0.42) ALDH1A1
Ammonia Solution, Strong SCHEMBL28099420 0.79 CYP2C19 (0.35) CA2
Hydrochloric Acid SCHEMBL29798815 0.79 CYP2C19 (0.35) CA2
SCHEMBL7617007 0.78
Methylamine SCHEMBL28902819 0.77 CA2 (0.31) CA2
SCHEMBL4611122 0.77 CA2 (0.31) CA2
SCHEMBL4839340 0.77 CA2 (0.30) CA2

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
EP-2054439-B1 CD4-RECEPTOR-DERIVED PEPTIDES AND METHOD FOR THE PREPARATION THEREOF PASTEUR INSTITUT (FR) 2011-06-01 EP disclosed