SCHEMBL4585696

SCHEMBL4585696

CCN(C)c1ccccc1CC(O)CS(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.33
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
ESR1 P03372 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
SCHEMBL6129999 0.81 APEX1 (0.34) APEX1PER2CRY1CRY2
SCHEMBL2495979 0.72 MGLL (0.41)
SCHEMBL6253134 0.69 PER2 (0.41) APEX1PER2CRY1CRY2ESR1
SCHEMBL242395 0.66 TSHR (0.42) PER2CRY1CRY2ESR1
SCHEMBL3794136 0.66 PER2 (0.44) APEX1PER2CRY1CRY2ESR1
SCHEMBL31718392 0.66 SIGMAR1 (0.37)
SCHEMBL28341253 0.65 ALDH1A1 (0.37)
SCHEMBL7132181 0.65 ALDH1A1 (0.39)
Potassium SCHEMBL5140869 0.65 PER2 (0.43) APEX1PER2CRY1CRY2ESR1
SCHEMBL29291124 0.64 GABRA1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805322-A4 ENZYME CYCLING BASED ASSAYS FOR ALPHA-METHYLACYL-CoA RACEMASE GEN ATOMICS (US) 2008-10-08 EP disclosed
US-7374897-B2 Enzyme cycling based assays for alpha-methylacyl-CoA racemase GENERAL ATOMICS (US) 2008-05-20 US disclosed
EP-1805322-A1 ENZYME CYCLING BASED ASSAYS FOR ALPHA-METHYLACYL-CoA RACEMASE GENERAL ATOMICS (US) 2007-07-11 EP disclosed
WO-2006044633-A1 ENZYME CYCLING BASED ASSAYS FOR ALPHA-METHYLACYL-CoA RACEMASE GENERAL ATOMICS (US) 2006-04-27 WO disclosed
US-20060084132-A1 Enzyme cycling based assays for alpha-methylacyl-CoA racemase GENERAL ATOMICS 2006-04-20 US disclosed