SCHEMBL7310329

SCHEMBL7310329

O=Cc1cc(OCCCCCC(=O)N(C2CCCCC2)C2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
PDE3B Q13370 15/20 0.43
PDE3A Q14432 15/20 0.43
P2RY12 Q9H244 7/20 0.43
PDE2A O00408 6/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.39
PDE5A O76074 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
PTAFR P25105 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL7309917 0.96 PDE3B (0.47) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL7306549 0.90 PDE3B (0.54) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL7308586 0.90 PDE3B (0.54) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL10374987 0.89 PDE3B (0.43) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL10376832 0.89 PDE3B (0.54) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL10374914 0.88 PDE3B (0.43) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL10374575 0.88 PDE3B (0.52) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL10377046 0.88 PDE3B (0.47) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL10374494 0.88 PDE3B (0.47) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL10376785 0.87 PDE3B (0.47) HPGDPDE3BPDE3AP2RY12PDE2A

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