SCHEMBL7316696

SCHEMBL7316696

CC(=O)OCCCCN(C(=O)CCCCCCOc1ccc([N+](=O)[O-])c(C(C)=O)c1Cl)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.35
PDE3B Q13370 6/20 0.34
PDE3A Q14432 6/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.32
MAPT P10636 1/20 0.32
F2 P00734 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PRSS1 P07477 1/20 0.32
PDE2A O00408 1/20 0.32
P2RY12 Q9H244 1/20 0.32

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
SCHEMBL7313559 0.93 PDE3B (0.37) CASP6PDE3BPDE3AALDH1A1KMT2A
SCHEMBL7319280 0.89 CASP6 (0.35) CASP6PDE3BPDE3ATHRATHRB
SCHEMBL7321041 0.88 CASP6 (0.35) CASP6PDE3BPDE3ATHRATHRB
SCHEMBL7311657 0.87 L3MBTL1 (0.39) CASP6PDE3BPDE3ATHRATHRB
SCHEMBL7320425 0.82 PDE3B (0.37) CASP6PDE3BPDE3AALDH1A1KMT2A
SCHEMBL7310470 0.81 KMT2A (0.37) CASP6PDE3BPDE3AALDH1A1KMT2A
SCHEMBL7312890 0.80 CASP6 (0.37) CASP6PDE3BPDE3AALDH1A1KMT2A
SCHEMBL7312013 0.79 PDE3B (0.41) PDE3BPDE3APDE2AP2RY12
SCHEMBL7320491 0.79 L3MBTL1 (0.38) CASP6PDE3BPDE3ATHRATHRB
SCHEMBL7310380 0.79 CASP6 (0.36) CASP6PDE3BPDE3AALDH1A1KMT2A

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