SCHEMBL7310703

SCHEMBL7310703

CCC(OC(C)=O)N(C(=O)CCCCCOc1ccc([N+](=O)[O-])c(C(C)O)c1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 0.40
PDE3A Q14432 17/20 0.40
P2RY12 Q9H244 6/20 0.37
PDE2A O00408 5/20 0.37
PPARG P37231 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35

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
SCHEMBL7310962 0.97 PDE3B (0.43) PDE3BPDE3AP2RY12PPARGPDE4A
SCHEMBL7320580 0.92 PDE3B (0.40) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL7307406 0.88 PDE3B (0.39) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10375825 0.87 PDE3B (0.45) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL10374532 0.85 PDE3B (0.47) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7321124 0.85 PDE3B (0.43) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL7319711 0.85 PDE3B (0.40) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10375674 0.84 PDE3B (0.43) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL10377348 0.83 PDE3B (0.52) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10377121 0.82 PDE3B (0.42) PDE3BPDE3AP2RY12PPARG

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