SCHEMBL7310380

SCHEMBL7310380

CC(=O)OCCN(C(=O)CCCCOc1ccc(C)c(C(C)=O)c1[N+](=O)[O-])C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.36
PDE3B Q13370 6/20 0.34
PDE3A Q14432 6/20 0.34
PDE2A O00408 5/20 0.34
P2RY12 Q9H244 5/20 0.34
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 2/20 0.32
HTR2A P28223 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL7320492 0.89 CASP6 (0.36) CASP6PDE3BPDE3APDE2AP2RY12
SCHEMBL7319354 0.87 CASP6 (0.37) CASP6PDE3BPDE3APDE2AP2RY12
SCHEMBL7310470 0.84 KMT2A (0.37) CASP6PDE3BPDE3APDE2AP2RY12
SCHEMBL7318852 0.84 CASP6 (0.36) CASP6PDE3BPDE3APDE2AP2RY12
SCHEMBL7313814 0.82 CASP6 (0.36) CASP6PDE3BPDE3APDE2AP2RY12
SCHEMBL7313559 0.81 PDE3B (0.37) CASP6PDE3BPDE3APDE2AP2RY12
SCHEMBL7314783 0.81 CASP6 (0.35) CASP6PDE3BPDE3APDE2AP2RY12
SCHEMBL7312110 0.79 KMT2A (0.37) CASP6PDE3BPDE3APDE2AP2RY12
SCHEMBL7316696 0.79 CASP6 (0.35) CASP6PDE3BPDE3APDE2AP2RY12
SCHEMBL7310679 0.79 PDE3B (0.38) CASP6PDE3BPDE3APDE2AP2RY12

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