SCHEMBL6923022

SCHEMBL6923022

CCSc1ccc(C2SCC(=O)N2CCCSS(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
GAA P10253 1/20 0.44

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
SCHEMBL5149549 0.86 PTGS1 (0.50) PTGS1PTGS2GAA
SCHEMBL5155105 0.73 PTGS1 (0.67) PTGS1PTGS2GAA
SCHEMBL5149739 0.73 ALDH1A1 (0.50) PTGS1PTGS2
SCHEMBL7124827 0.72 SMN1; SMN2 (0.55) PTGS1PTGS2GAA
SCHEMBL5152514 0.71 MEN1 (0.47) PTGS1PTGS2GAA
SCHEMBL5155489 0.71 ALDH1A1 (0.56) PTGS1PTGS2GAA
SCHEMBL5155073 0.70 MEN1 (0.55) PTGS1PTGS2GAA
SCHEMBL5156264 0.69 PTGS1 (0.54) PTGS1PTGS2GAA
SCHEMBL5156863 0.69 MEN1 (0.53) PTGS1PTGS2
SCHEMBL5152124 0.69 MEN1 (0.48) PTGS1PTGS2GAA

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-2004017965-A1 1,3-THIAZOLIN-4-ONES AS THERAPEUTIC COMPOUNDS IN THE TREATMENT OF PAIN IONIX PHARMACEUTICALS LIMITED (GB) 2004-03-04 WO disclosed