SCHEMBL7312890

SCHEMBL7312890

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
CASP6 P55212 1/20 0.37
PDE3B Q13370 7/20 0.36
PDE3A Q14432 7/20 0.36
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 4/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PDE2A O00408 2/20 0.33
P2RY12 Q9H244 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7321041 0.93 CASP6 (0.35) CASP6PDE3BPDE3AKMT2AALDH1A1
SCHEMBL7313559 0.87 PDE3B (0.37) CASP6PDE3BPDE3AKMT2AALDH1A1
SCHEMBL7320425 0.87 PDE3B (0.37) CASP6PDE3BPDE3AKMT2AALDH1A1
SCHEMBL7319790 0.85 PDE3B (0.35) CASP6PDE3BPDE3AKMT2AALDH1A1
SCHEMBL7317991 0.84 CASP6 (0.37) CASP6PDE3BPDE3AKMT2AALDH1A1
SCHEMBL7315054 0.84 L3MBTL1 (0.38) CASP6PDE3BPDE3AKMT2AALDH1A1
SCHEMBL7313849 0.83 L3MBTL1 (0.39) CASP6PDE3BPDE3AKMT2AALDH1A1
SCHEMBL7319354 0.82 CASP6 (0.37) CASP6PDE3BPDE3AKMT2AALDH1A1
SCHEMBL7315486 0.82 PDE3B (0.43) PDE3BPDE3AKMT2AALDH1A1PDE2A
SCHEMBL7308565 0.81 SMN1; SMN2 (0.37) CASP6KMT2AALDH1A1HTTMAPT

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