SCHEMBL7317629

SCHEMBL7317629

CC(O)c1cc(OCC(=O)N(C)C(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 4/20 0.45
MAPK1 P28482 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.45
PKM P14618 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
APP P05067 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
OPRK1 P41145 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL7315992 0.90 PDE3B (0.49) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL7312404 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL7313259 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL7317466 0.77 PDE3B (0.46) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL7306695 0.76 PDE3B (0.47) ALDH1A1SMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL3993290 0.74 MAPT (0.47) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL7313188 0.74 LMNA (0.52) ALDH1A1SMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL7318784 0.74 PDE3B (0.47) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL21029934 0.74 SIRT5 (0.46) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL7309568 0.73 PDE3B (0.47) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A

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