SCHEMBL7310962

SCHEMBL7310962

CCC(OC(C)=O)N(C(=O)CCCOc1ccc([N+](=O)[O-])c(C(C)O)c1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 0.43
PDE3A Q14432 17/20 0.43
P2RY12 Q9H244 2/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
PDE5A O76074 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
PTAFR P25105 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 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
SCHEMBL7310703 0.97 PDE3B (0.40) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7320580 0.89 PDE3B (0.40) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL10374532 0.88 PDE3B (0.47) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7319711 0.88 PDE3B (0.40) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL10375825 0.85 PDE3B (0.45) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL7307406 0.85 PDE3B (0.39) PDE3BPDE3AP2RY12HPGD
SCHEMBL7312687 0.84 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7318480 0.84 PDE3B (0.43) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL10375678 0.84 PDE3B (0.46) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7310447 0.83 PDE3B (0.55) PDE3BPDE3AP2RY12PDE4APDE4B

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