SCHEMBL7312008

SCHEMBL7312008

CCCCCC(OC(C)=O)N(C(=O)CCCCCCOc1ccc([N+](=O)[O-])c(C=O)c1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.38
PDE3B Q13370 15/20 0.37
PDE3A Q14432 15/20 0.37
P2RY12 Q9H244 6/20 0.37
PDE2A O00408 5/20 0.37
HPGD P15428 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PLA2G4B P0C869 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7307406 0.92 PDE3B (0.39) SIRT5PDE3BPDE3AP2RY12PDE2A
SCHEMBL7319711 0.89 PDE3B (0.40) SIRT5PDE3BPDE3AP2RY12PDE2A
SCHEMBL7320580 0.89 PDE3B (0.40) PDE3BPDE3AP2RY12PDE2APLA2G4B
SCHEMBL10376784 0.84 PDE3B (0.41) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL10374493 0.84 PDE3B (0.42) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL10374468 0.83 PDE3B (0.42) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL7316875 0.82 PDE3B (0.42) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL10374867 0.82 PDE3B (0.40) SIRT5PDE3BPDE3AP2RY12PDE2A
SCHEMBL10377093 0.81 PDE3B (0.43) PDE3BPDE3AP2RY12PDE2AHPGD
SCHEMBL10376014 0.81 PDE3B (0.41) SIRT5PDE3BPDE3AP2RY12PDE2A

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