SCHEMBL8599807

SCHEMBL8599807

Cc1cn(Cc2ccc(S(C)(=O)=O)cc2)c2cc(CC(=O)O)ccc12

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 9/20 0.65
PDE4A P27815 2/20 0.58
PDE4B Q07343 2/20 0.58
PDE4C Q08493 2/20 0.58
PDE4D Q08499 2/20 0.58
PTGDR2 Q9Y5Y4 9/20 0.50

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
SCHEMBL8602152 0.86 SLC22A12 (0.78) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL1553843 0.86 PDE4A (0.67) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8604805 0.85 SLC22A12 (0.74) SLC22A12PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL8599806 0.85 PDE4A (0.66) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8572873 0.84 SLC22A12 (0.70) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8599802 0.83 PDE4A (0.67) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8600343 0.82 SLC22A12 (0.67) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8599076 0.81 SLC22A12 (0.65) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL1554169 0.81 PDE4A (0.65) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL16587422 0.79 SLC22A12 (0.70) SLC22A12

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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed