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SCHEMBL7878520

SCHEMBL7878520

CCOc1cc(C(CS(C)(=O)=O)N2Cc3cccc(NC(=O)N(CI)CI)c3C2=O)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.57
▸ PDE4C Q08493 18/20 0.57
▸ PDE4A P27815 12/20 0.57
▸ PDE4D Q08499 12/20 0.57
▸ HTR2B P41595 1/20 0.57

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
SCHEMBL2466089 0.92 PDE4B (0.60) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL2466090 0.92 PDE4B (0.60) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL21761704 0.89 PDE4B (0.71) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL825606 0.89 PDE4B (0.58) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL7878517 0.88 PDE4B (0.48) PDE4BPDE4CPDE4APDE4DHTR2B
Hydrochloric Acid SCHEMBL537279 0.88 PDE4B (0.57) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL3558205 0.88 PDE4B (0.60) PDE4BPDE4CPDE4APDE4DHTR2B
Hydrochloric Acid SCHEMBL537278 0.87 PDE4B (0.57) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1551526 0.87 PDE4B (0.60) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1551525 0.87 PDE4B (0.60) PDE4BPDE4CPDE4APDE4DHTR2B

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-2010093588-A1 METHODS OF USING AND COMPOSITIONS COMPRISING PDE4 MODULATORS FOR TREATMENT, PREVENTION AND MANAGEMENT OF TUBERCULOSIS CELGENE CORPORATION (US) 2010-08-19 — — WO disclosed