SCHEMBL7317466

SCHEMBL7317466

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
THRA P10827 2/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
THRB P10828 2/20 0.41
MAPK1 P28482 5/20 0.39
MAPT P10636 5/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 2/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL7317244 0.89 PDE3B (0.41) PDE3BPDE3ATHRAALDH1A1SMN1; SMN2
SCHEMBL7306695 0.86 PDE3B (0.47) PDE3BPDE3AALDH1A1SMN1; SMN2THRB
SCHEMBL7315992 0.86 PDE3B (0.49) PDE3BPDE3AALDH1A1SMN1; SMN2MAPK1
SCHEMBL7313188 0.85 LMNA (0.52) PDE3BPDE3ATHRAALDH1A1SMN1; SMN2
SCHEMBL21029934 0.84 SIRT5 (0.46) ALDH1A1SMN1; SMN2MAPK1MAPTRAB9A
SCHEMBL7320235 0.82 PDE3B (0.44) PDE3BPDE3ATHRAALDH1A1SMN1; SMN2
SCHEMBL7344986 0.81 LMNA (0.48) PDE3BPDE3ATHRAALDH1A1SMN1; SMN2
SCHEMBL10377037 0.80 PDE3B (0.44) PDE3BPDE3ATHRAALDH1A1SMN1; SMN2
SCHEMBL10377117 0.80 PDE3B (0.42) PDE3BPDE3ATHRAALDH1A1SMN1; SMN2
SCHEMBL10375834 0.80 PDE3B (0.42) PDE3BPDE3ATHRAALDH1A1SMN1; 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