SCHEMBL7313370

SCHEMBL7313370

CC(=O)c1cc(C)cc(OCCCCCC(=O)N(C)c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
THRA P10827 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOD2 Q9HC29 1/20 0.36
THRB P10828 2/20 0.36

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
SCHEMBL7315898 0.85 ALDH1A1 (0.41) ALDH1A1L3MBTL1SMN1; SMN2HTTMAPT
SCHEMBL7314934 0.85 ALDH1A1 (0.41) ALDH1A1L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL10377117 0.78 PDE3B (0.42) ALDH1A1L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL7306725 0.77 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7318121 0.77 L3MBTL1 (0.42) ALDH1A1L3MBTL1HTTTHRAGAA
SCHEMBL7314387 0.77 PDE3B (0.42) ALDH1A1L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL10376583 0.76 ALDH1A1 (0.41) ALDH1A1L3MBTL1SMN1; SMN2HTTLMNA
SCHEMBL10375845 0.75 ALDH1A1 (0.41) ALDH1A1L3MBTL1SMN1; SMN2HTTLMNA
SCHEMBL7310614 0.74 CNR1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2HTTLMNA
SCHEMBL7313793 0.74 PDE3B (0.45) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1

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