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Sugi Predict / Compounds / SCHEMBL5535537

SCHEMBL5535537

SCHEMBL5535537

COc1cc(NC2(NC(C)(C)COC3CCC(C(=O)O)CC3)CCCCO2)ccc1-c1cnco1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 10/20 0.47
▸ IMPDH2 P12268 10/20 0.46
▸ IMPDH1 P20839 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
SCHEMBL6531402 0.79 IMPDH2 (0.46) AAK1IMPDH2IMPDH1
SCHEMBL5056838 0.79 IMPDH2 (0.46) AAK1IMPDH2IMPDH1
SCHEMBL5056202 0.79 IMPDH2 (0.46) AAK1IMPDH2IMPDH1
SCHEMBL14877035 0.79 IMPDH2 (0.46) AAK1IMPDH2IMPDH1
SCHEMBL6533966 0.79 IMPDH2 (0.51) AAK1IMPDH2IMPDH1
SCHEMBL6533062 0.78 IMPDH2 (0.45) AAK1IMPDH2IMPDH1
SCHEMBL5548069 0.78 IMPDH2 (0.47) AAK1IMPDH2IMPDH1
Trifluoroacetic Acid SCHEMBL6528447 0.78 IMPDH2 (0.45) AAK1IMPDH2IMPDH1
SCHEMBL16508284 0.78 IMPDH2 (0.44) AAK1IMPDH2IMPDH1
SCHEMBL16508273 0.78 IMPDH2 (0.44) AAK1IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2803357-B1 Angiogenesis inhibitors UNIV JOHNS HOPKINS (US) 2020-11-18 — — EP disclosed
EP-2803357-A2 Angiogenesis inhibitors THE JOHNS-HOPKINS UNIVERSITY (US) 2014-11-19 — — EP disclosed
EP-1765336-A2 ANGIOGENESIS INHIBITORS THE JOHNS-HOPKINS UNIVERSITY (US) 2007-03-28 — — EP disclosed
WO-2006004795-A2 ANGIOGENESIS INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2006-01-12 — — WO disclosed