SCHEMBL13937932

SCHEMBL13937932

COc1cc(C)cc(CO)c1I

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ ACHE P22303 2/20 0.43
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ ERN1 O75460 1/20 0.37
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ DPP4 P27487 1/20 0.34
▸ SUV39H2 Q9H5I1 1/20 0.34
▸ MAPT P10636 1/20 0.33

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
SCHEMBL3891037 0.85 ACHE (0.41) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL12151714 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDCD1
SCHEMBL28761010 0.79 ACHE (0.59) ACHEERN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2621002 0.78 ERN1 (0.50) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL10064029 0.78 ACHE (0.61) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL9596755 0.78 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL9447252 0.77 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL15679419 0.77 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL12954538 0.77 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL15725791 0.77 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DACHE

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-2009019616-A2 ISOPREKINAMYCIN ANALOGS AND SYNTHESES THEREOF UNIVERSITY OF MANITOBA (US) 2009-02-12 — — WO disclosed
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