SCHEMBL7310244

SCHEMBL7310244

CN(C(=O)CCCCCCOc1cccc(C=O)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAD52 P43351 1/20 0.37
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
S1PR4 O95977 1/20 0.34
ITGA4 P13612 1/20 0.34

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
SCHEMBL10375858 0.99 ALDH1A1 (0.39) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10374772 0.96 ALDH1A1 (0.40) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7319242 0.85 LMNA (0.40) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10376583 0.85 ALDH1A1 (0.41) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7318978 0.85 PPARG (0.39) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10755898 0.84 KMT2A (0.36) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10375845 0.84 ALDH1A1 (0.41) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10376692 0.83 NPC1 (0.44) ALDH1A1MAPTMEN1KMT2ARAD52
SCHEMBL7308733 0.82 PDE3B (0.39) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10376735 0.82 L3MBTL1 (0.38) L3MBTL1ALDH1A1MAPTMEN1KMT2A

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