SCHEMBL7318978

SCHEMBL7318978

CC(O)c1cccc(OCCCCCCC(=O)N(C)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CYSLTR2 Q9NS75 3/20 0.35
CYSLTR1 Q9Y271 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL7319242 0.85 LMNA (0.40) L3MBTL1PDE3BPDE3AALDH1A1LMNA
SCHEMBL7310244 0.85 L3MBTL1 (0.39) PPARGL3MBTL1PDE3BPDE3AALDH1A1
SCHEMBL10375858 0.83 ALDH1A1 (0.39) L3MBTL1PDE3BPDE3AALDH1A1LMNA
SCHEMBL7320214 0.82 PDE3B (0.39) L3MBTL1PDE3BPDE3AALDH1A1LMNA
SCHEMBL10374772 0.80 ALDH1A1 (0.40) L3MBTL1PDE3BPDE3AALDH1A1LMNA
SCHEMBL7315902 0.76 HTR7 (0.34) L3MBTL1CYSLTR2CYSLTR1ALDH1A1LMNA
SCHEMBL7315992 0.76 PDE3B (0.49) L3MBTL1PDE3BPDE3AALDH1A1LMNA
SCHEMBL7311484 0.75 PDE3B (0.47) PDE3BPDE3AALDH1A1KDM4EKMT2A
SCHEMBL7314934 0.74 ALDH1A1 (0.41) PPARGL3MBTL1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL7316727 0.74 PDE3B (0.40) L3MBTL1PDE3BPDE3AALDH1A1LMNA

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