SCHEMBL7313559

SCHEMBL7313559

CC(=O)OCCN(C(=O)CCCOc1ccc([N+](=O)[O-])c(C(C)=O)c1Cl)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.37
PDE3A Q14432 7/20 0.37
CASP6 P55212 1/20 0.36
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
P2RY12 Q9H244 3/20 0.34
PDE2A O00408 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7316696 0.93 CASP6 (0.35) PDE3BPDE3ACASP6ALDH1A1KMT2A
SCHEMBL7320425 0.89 PDE3B (0.37) PDE3BPDE3ACASP6ALDH1A1KMT2A
SCHEMBL7312890 0.87 CASP6 (0.37) PDE3BPDE3ACASP6ALDH1A1KMT2A
SCHEMBL7310470 0.83 KMT2A (0.37) PDE3BPDE3ACASP6ALDH1A1KMT2A
SCHEMBL7311657 0.82 L3MBTL1 (0.39) PDE3BPDE3ACASP6ALDH1A1KMT2A
SCHEMBL7319280 0.82 CASP6 (0.35) PDE3BPDE3ACASP6ALDH1A1KMT2A
SCHEMBL7310380 0.81 CASP6 (0.36) PDE3BPDE3ACASP6ALDH1A1KMT2A
SCHEMBL7308848 0.81 PDE3B (0.44) PDE3BPDE3AALDH1A1KMT2AP2RY12
SCHEMBL7321041 0.80 CASP6 (0.35) PDE3BPDE3ACASP6ALDH1A1KMT2A
SCHEMBL7319397 0.80 CASP6 (0.38) PDE3BPDE3ACASP6ALDH1A1KMT2A

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