SCHEMBL8924731

SCHEMBL8924731

CCOc1ccc(-c2nc(-c3cc(O)cc(C(=O)O)n3)cs2)cc1OCC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.76
PDE4B Q07343 1/20 0.76
PDE4C Q08493 1/20 0.76
PDE4D Q08499 1/20 0.76
ALDH1A1 P00352 5/20 0.49
S1PR1 P21453 1/20 0.47
ECE1 P42892 3/20 0.45
KDM4E B2RXH2 4/20 0.45
EIF4E P06730 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.42
FPR2 P25090 1/20 0.42
SREBF2 Q12772 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL8923878 0.89 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8924565 0.89 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8925296 0.88 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8924710 0.88 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8924336 0.87 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DALDH1A1
Tetomilast SCHEMBL29369138 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
Tetomilast SCHEMBL436663 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6199367 0.85 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6199639 0.84 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6197296 0.84 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DALDH1A1

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