SCHEMBL1847872

SCHEMBL1847872

CCC(CC(N)=O)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSA P10619 14/20 0.38
ALDH1A1 P00352 1/20 0.37
HSPA5 P11021 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2039261 0.85 CTSA (0.48) CTSA
SCHEMBL7825710 0.84 CTSA (0.47) CTSA
SCHEMBL1975745 0.80 FBP1 (0.39) CTSAALDH1A1
SCHEMBL6254717 0.80 CTSA (0.38) CTSA
SCHEMBL30218944 0.77 ALDH1A1 (0.43) CTSAALDH1A1HSPA5SMN1; SMN2
SCHEMBL6252040 0.77 CTSA (0.40) CTSAALDH1A1
SCHEMBL1975742 0.74 ALDH1A1 (0.37) CTSAALDH1A1
SCHEMBL13744445 0.74 CYP1A2 (0.35) CTSAALDH1A1HSPA5SMN1; SMN2
SCHEMBL2041450 0.73 CTSA (0.46) CTSA
SCHEMBL5585939 0.73 ALDH1A1 (0.43) CTSAALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed
EP-1590337-A1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME AS BETA-AMYLOID PEPTIDE PRODUCTION INHIBITORS Sanofi-Aventis (FR) 2005-11-02 EP disclosed
WO-2004067520-A1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME AS BETA-AMYLOID PEPTIDE PRODUCTION INHIBITORS SANOFI-AVENTIS (FR) 2004-08-12 WO disclosed