SCHEMBL9369166

SCHEMBL9369166

O=C(O)CCCCOc1ccc2[nH]c(=O)cnc2c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.56
PDE3A Q14432 8/20 0.56
PDE2A O00408 5/20 0.56
P2RY12 Q9H244 5/20 0.55
MAPKAPK2 P49137 1/20 0.47
RPS6KA3 P51812 1/20 0.47
CSNK2A1 P68400 1/20 0.47
PLK3 Q9H4B4 1/20 0.47
CYP4F2 P78329 6/20 0.45
CYP4A11 Q02928 6/20 0.45
SERPINE1 P05121 1/20 0.44
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
ACSL1 P33121 2/20 0.44
ACSL6 Q9UKU0 2/20 0.44

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
SCHEMBL9370975 0.96 PDE3B (0.55) PDE3BPDE3APDE2AP2RY12MAPKAPK2
SCHEMBL9368603 0.81 PDE3B (0.59) PDE3BPDE3APDE2AP2RY12MAPKAPK2
SCHEMBL9371196 0.79 PDE3B (0.56) PDE3BPDE3APDE2AP2RY12SERPINE1
SCHEMBL9036354 0.79 PDE3B (0.58) PDE3BPDE3APDE2AP2RY12SERPINE1
SCHEMBL9686919 0.78 PDE3B (0.68) PDE3BPDE3APDE2AP2RY12
SCHEMBL9368668 0.77 PDE3B (0.54) PDE3BPDE3APDE2AP2RY12SERPINE1
SCHEMBL3863774 0.77 PDE3B (0.65) PDE3BPDE3APDE2AP2RY12SERPINE1
SCHEMBL9687305 0.76 PDE3B (0.54) PDE3BPDE3APDE2AP2RY12
SCHEMBL9372308 0.75 PDE3B (0.55) PDE3BPDE3APDE2AP2RY12SERPINE1
SCHEMBL5630679 0.75 PDE3B (0.60) PDE3BPDE3APDE2AP2RY12SERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311378-B1 6-Substituted alkoxy-2-oxo-1, 2-dihydroquinoxaline derivatives ASAHI CHEMICAL IND (JP) 1994-04-27 EP disclosed
US-4870175-A ANTICOAGULANTS, CYCLIC ADENOSINE MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-09-26 US disclosed
EP-0311378-A2 6-Substituted alkoxy-2-oxo-1, 2-dihydroquinoxaline derivatives ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-04-12 EP disclosed