SCHEMBL7319790

SCHEMBL7319790

CCCCN(C(=O)CCC(O)CCCOc1ccc([N+](=O)[O-])c(C(C)O)c1Cl)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
THRB P10828 3/20 0.35
THRA P10827 2/20 0.35
CASP6 P55212 1/20 0.34
KMT2A Q03164 2/20 0.33
PYGL P06737 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HSD11B1 P28845 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 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
SCHEMBL7308565 0.93 SMN1; SMN2 (0.37) THRBTHRACASP6KMT2APYGL
SCHEMBL7318247 0.89 PDE3B (0.35) PDE3BPDE3ATHRBTHRACASP6
SCHEMBL7312890 0.85 CASP6 (0.37) PDE3BPDE3ACASP6KMT2ASMN1; SMN2
SCHEMBL7321041 0.84 CASP6 (0.35) PDE3BPDE3ATHRBTHRACASP6
SCHEMBL7320413 0.82 SMN1; SMN2 (0.39) THRBTHRACASP6KMT2APYGL
SCHEMBL10374861 0.81 L3MBTL1 (0.37) PDE3BPDE3ATHRBTHRACASP6
SCHEMBL7306686 0.78 THRA (0.36) PDE3BPDE3ATHRBTHRACASP6
SCHEMBL7308560 0.77 GAA (0.32) THRBTHRACASP6KMT2ASMN1; SMN2
SCHEMBL7315270 0.76 THRA (0.38) PDE3BPDE3ATHRBTHRACASP6
SCHEMBL10375733 0.75 PDE3B (0.39) PDE3BPDE3ACASP6KMT2ASMN1; SMN2

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