SCHEMBL7308848

SCHEMBL7308848

CC(=O)OCCN(C(=O)CCCOc1ccc([N+](=O)[O-])c(C(C)=O)c1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 19/20 0.44
PDE3A Q14432 19/20 0.44
P2RY12 Q9H244 5/20 0.44
PDE2A O00408 3/20 0.44
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PDE5A O76074 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
PTAFR P25105 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE1C Q14123 1/20 0.40

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
SCHEMBL7319225 0.93 PDE3B (0.43) PDE3BPDE3AP2RY12PDE2AALDH1A1
SCHEMBL7318210 0.92 PDE3B (0.43) PDE3BPDE3AP2RY12PDE2AALDH1A1
SCHEMBL10374906 0.91 PDE3B (0.49) PDE3BPDE3AP2RY12PDE2AALDH1A1
SCHEMBL7320827 0.89 PDE3B (0.41) PDE3BPDE3AP2RY12PDE2AALDH1A1
SCHEMBL7309374 0.89 PDE3B (0.41) PDE3BPDE3AP2RY12PDE2AALDH1A1
SCHEMBL7306577 0.89 PDE3B (0.44) PDE3BPDE3AP2RY12PDE2AALDH1A1
SCHEMBL10375828 0.88 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10375019 0.88 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7315486 0.87 PDE3B (0.43) PDE3BPDE3AP2RY12PDE2AALDH1A1
SCHEMBL7307541 0.87 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2A

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