SCHEMBL9812619

SCHEMBL9812619

COc1c(-c2ccccc2)c(-c2ccccc2)c(O)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 6/20 0.61
▸ PDE4A P27815 5/20 0.61
▸ PDE4C Q08493 5/20 0.61
▸ PDE4D Q08499 5/20 0.61
▸ KDM4E B2RXH2 4/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RCE1 Q9Y256 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PTGER4 P35408 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ERN1 O75460 1/20 0.38

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
SCHEMBL9656953 0.87 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL5382294 0.82 MAPT (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL13372165 0.80 KDM4E (0.58) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL29535843 0.79 ALDH1A1 (0.56) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL283173 0.79 ALDH1A1 (0.56) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL18950744 0.78 KDM4E (0.75) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL9812673 0.77 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL1128021 0.76 KDM4E (0.64) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL28783170 0.76 MAPT (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL9448813 0.75 KDM4E (0.62) PDE4BPDE4APDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0146348-B1 SUBSTITUTED NAPHTHALENES, INDOLES, BENZOFURANS AND BENZOTHIOPHENES AS LIPOXYGENASE INHIBITORS THE UPJOHN COMPANY (US) 1991-07-31 — — EP claimed
US-4737519-A Substituted naphthalenes, indoles, benzofurans, and benzothiophenes as lipoxygenase inhibitors THE UPJOHN COMPANY (US) 1988-04-12 — — US claimed
EP-0146348-A2 Substituted naphthalenes, indoles, benzofurans and benzothiophenes as lipoxygenase inhibitors THE UPJOHN COMPANY (US) 1985-06-26 — — EP claimed
US-7226661-B2 Synthesis of quinones and phenols on solid support BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-06-05 — — US disclosed
EP-0146348-B1 SUBSTITUTED NAPHTHALENES, INDOLES, BENZOFURANS AND BENZOTHIOPHENES AS LIPOXYGENASE INHIBITORS THE UPJOHN COMPANY (US) 1991-07-31 — — EP disclosed
WO-1990003374-A1 1,4-DIHYDROTHIONAPTHOQUINONE AND HETEROCYCLIC CONGENERS WHICH INHIBIT LIPOXYGENASE ENZYMES THE UPJOHN COMPANY (US) 1990-04-05 — — WO disclosed
US-4737519-A Substituted naphthalenes, indoles, benzofurans, and benzothiophenes as lipoxygenase inhibitors THE UPJOHN COMPANY (US) 1988-04-12 — — US disclosed
EP-0146348-A2 Substituted naphthalenes, indoles, benzofurans and benzothiophenes as lipoxygenase inhibitors THE UPJOHN COMPANY (US) 1985-06-26 — — EP disclosed
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