SCHEMBL7320950

SCHEMBL7320950

CCCCN(C(=O)CCCCCCOc1ccc(F)c([N+](=O)[O-])c1C=O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
PYGL P06737 1/20 0.35
CYP19A1 P11511 2/20 0.35
CASP6 P55212 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
PDE3B Q13370 6/20 0.34
PDE3A Q14432 6/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE6D O43924 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
HSD11B1 P28845 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
SCHEMBL7309483 0.88 THRA (0.37) THRATHRBPYGLCYP19A1CASP6
SCHEMBL7306686 0.87 THRA (0.36) THRATHRBPYGLCYP19A1CASP6
SCHEMBL10376587 0.83 L3MBTL1 (0.39) THRATHRBCASP6LTB4R2L3MBTL1
SCHEMBL10376968 0.81 PDE3B (0.39) PYGLPDE3BPDE3AGAAPTGDR2
SCHEMBL10375064 0.81 PDE3B (0.39) PYGLPDE3BPDE3AGAAPTGDR2
SCHEMBL10375880 0.80 PDE3B (0.39) PYGLPDE3BPDE3AGAAPTGDR2
SCHEMBL10375748 0.80 L3MBTL1 (0.41) THRATHRBCASP6LTB4R2L3MBTL1
SCHEMBL10375053 0.79 THRA (0.40) THRATHRBCASP6LTB4R2PDE3B
SCHEMBL7310679 0.78 PDE3B (0.38) CASP6PDE3BPDE3AL3MBTL1
SCHEMBL10756286 0.77 PDE3B (0.42) PDE3BPDE3AGAAPTGDR2

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