SCHEMBL8922609

SCHEMBL8922609

CCOc1ccc(-c2nc(-c3cccc(N4CCCC4C(=O)O)n3)cs2)cc1OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.62
PDE4B Q07343 1/20 0.62
PDE4C Q08493 1/20 0.62
PDE4D Q08499 1/20 0.62
EGFR P00533 2/20 0.42
KDR P35968 2/20 0.42
USP30 Q70CQ3 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
FPR2 P25090 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SCN9A Q15858 1/20 0.37

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
Tetomilast SCHEMBL29369138 0.77 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKDM4E
Tetomilast SCHEMBL436663 0.77 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8923733 0.77 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL8924979 0.76 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9413051 0.76 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL852122 0.76 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL8924868 0.75 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8923420 0.75 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8922486 0.74 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8924903 0.74 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed