SCHEMBL7306686

SCHEMBL7306686

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
CASP6 P55212 1/20 0.35
PYGL P06737 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE6D O43924 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
CYP19A1 P11511 2/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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 0.87 THRA (0.37) THRATHRBCASP6PYGLL3MBTL1
SCHEMBL7320950 0.87 THRA (0.37) THRATHRBCASP6PYGLL3MBTL1
SCHEMBL7319354 0.78 CASP6 (0.37) CASP6L3MBTL1SMN1; SMN2PDE3BPDE3A
SCHEMBL7319790 0.78 PDE3B (0.35) THRATHRBCASP6PYGLL3MBTL1
SCHEMBL7315270 0.77 THRA (0.38) THRATHRBCASP6PDE3BPDE3A
SCHEMBL7321041 0.76 CASP6 (0.35) THRATHRBCASP6PYGLL3MBTL1
SCHEMBL7313849 0.75 L3MBTL1 (0.39) THRATHRBCASP6L3MBTL1SMN1; SMN2
SCHEMBL7310371 0.75 PDE3B (0.42) THRATHRBPDE3BPDE3A
SCHEMBL7315054 0.74 L3MBTL1 (0.38) CASP6L3MBTL1SMN1; SMN2PDE3BPDE3A
SCHEMBL7314783 0.74 CASP6 (0.35) CASP6L3MBTL1CYSLTR2CYSLTR1SMN1; 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