SCHEMBL7374459

SCHEMBL7374459

COc1ccc(-c2csc(CC(=O)O)n2)cc1OC1CC2CCC1C2

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.59
PDE4A P27815 7/20 0.59
PDE4C Q08493 7/20 0.59
PDE4D Q08499 7/20 0.59
MEN1 O00255 5/20 0.52
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 3/20 0.43
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
P2RX3 P56373 1/20 0.41
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 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
SCHEMBL7368236 0.82 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL7369053 0.80 ALDH1A1 (0.65) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7358558 0.74 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL14570529 0.72 PDE4B (0.77) PDE4BPDE4APDE4CPDE4D
SCHEMBL7355649 0.72 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL7366624 0.71 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL7360400 0.71 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL7359192 0.71 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDGFRB
Hydrochloric Acid SCHEMBL7363927 0.70 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL7333823 0.70 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDGFRB

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
EP-0672031-A1 CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS PFIZER INC. (US) 1995-09-20 EP disclosed
WO-1994012461-A1 CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS PFIZER INC. (US) 1994-06-09 WO disclosed