SCHEMBL7319907

SCHEMBL7319907

CC(=O)OCCN(C(=O)CCCOc1cc(C)c(C=O)c([N+](=O)[O-])c1)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.37
PDE3A Q14432 12/20 0.37
P2RY12 Q9H244 3/20 0.37
PDE2A O00408 2/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CASP6 P55212 1/20 0.33
F2 P00734 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7308505 0.90 PDE3B (0.42) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL7307863 0.89 PDE3B (0.38) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL7309406 0.86 PDE3B (0.36) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL7307541 0.84 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL7306577 0.82 PDE3B (0.44) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL7312110 0.82 KMT2A (0.37) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL7319225 0.81 PDE3B (0.43) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL7308503 0.81 PDE3B (0.38) PDE3BPDE3AP2RY12MEN1KMT2A
SCHEMBL7308848 0.80 PDE3B (0.44) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL7318488 0.79 PDE3B (0.42) PDE3BPDE3AP2RY12PDE2AMEN1

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