SCHEMBL7310706

SCHEMBL7310706

CC(=O)OCCCN(C(=O)CCCCCOc1ccc([N+](=O)[O-])c(C(C)O)c1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 19/20 0.40
PDE3A Q14432 19/20 0.40
PDE2A O00408 6/20 0.39
P2RY12 Q9H244 6/20 0.39
PPARG P37231 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
SCHEMBL7320585 0.98 PDE3B (0.42) PDE3BPDE3APDE2AP2RY12PPARG
SCHEMBL7310966 0.97 PDE3B (0.43) PDE3BPDE3APDE2AP2RY12PPARG
SCHEMBL7315486 0.93 PDE3B (0.43) PDE3BPDE3APDE2AP2RY12PPARG
SCHEMBL7310371 0.90 PDE3B (0.42) PDE3BPDE3APDE2AP2RY12PPARG
SCHEMBL10375826 0.89 PDE3B (0.47) PDE3BPDE3APDE2AP2RY12
SCHEMBL7307410 0.87 PDE3B (0.41) PDE3BPDE3APDE2AP2RY12PPARG
SCHEMBL10374533 0.87 PDE3B (0.50) PDE3BPDE3APDE2AP2RY12
SCHEMBL7318488 0.86 PDE3B (0.42) PDE3BPDE3APDE2AP2RY12
SCHEMBL7321124 0.85 PDE3B (0.43) PDE3BPDE3APDE2AP2RY12PPARG
SCHEMBL7312013 0.85 PDE3B (0.41) PDE3BPDE3APDE2AP2RY12PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed