SCHEMBL6531402

SCHEMBL6531402

COc1cc(C(=O)O)ccc1OCCC(C)(C)NC1(Nc2ccc(-c3cnco3)c(OC)c2)CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 15/20 0.46
IMPDH1 P20839 1/20 0.45
AAK1 Q2M2I8 6/20 0.43

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
SCHEMBL16508273 0.94 IMPDH2 (0.44) IMPDH2IMPDH1AAK1
SCHEMBL5134743 0.94 IMPDH2 (0.44) IMPDH2IMPDH1AAK1
SCHEMBL5056838 0.93 IMPDH2 (0.46) IMPDH2IMPDH1AAK1
SCHEMBL5148499 0.93 IMPDH2 (0.45) IMPDH2IMPDH1AAK1
SCHEMBL5548069 0.90 IMPDH2 (0.47) IMPDH2IMPDH1AAK1
SCHEMBL14877035 0.90 IMPDH2 (0.46) IMPDH2IMPDH1AAK1
SCHEMBL16508284 0.88 IMPDH2 (0.44) IMPDH2IMPDH1AAK1
SCHEMBL6533062 0.88 IMPDH2 (0.45) IMPDH2IMPDH1AAK1
SCHEMBL5056202 0.87 IMPDH2 (0.46) IMPDH2IMPDH1AAK1
SCHEMBL5134070 0.85 IMPDH2 (0.42) IMPDH2IMPDH1AAK1

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
US-6867299-B2 Inosine monophosphate dehydrogenase (IMPDH); use as immunosuppressants, anticancer agents and antiviral agents HOFFMANN-LA ROCHE INC. (US) 2005-03-15 US disclosed