SCHEMBL7303038

SCHEMBL7303038

CCCCC(OC(C)=O)N(C(=O)CCCOc1cccc(C(C)O)c1[N+](=O)[O-])C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARG P37231 6/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL7311761 0.88 PDE3B (0.36) PDE3BPDE3ACYP1A2CYP3A4CYP2D6
SCHEMBL10374675 0.86 PDE3B (0.39) PDE3BPDE3ACYP1A2CYP3A4CYP2D6
SCHEMBL7315049 0.83 L3MBTL1 (0.37) PDE3BPDE3ACYP1A2CYP3A4CYP2D6
SCHEMBL7311484 0.81 PDE3B (0.47) PDE3BPDE3ACYP1A2CYP3A4CYP2C19
SCHEMBL7320618 0.79 L3MBTL1 (0.37) PDE3BPDE3ACYP2D6CYP2C19MEN1
SCHEMBL10374677 0.79 PDE3B (0.39) PDE3BPDE3AMEN1KMT2AL3MBTL1
SCHEMBL7320580 0.78 PDE3B (0.40) PDE3BPDE3ACYP1A2CYP3A4CYP2D6
SCHEMBL7303043 0.78 CASP6 (0.35) PDE3BPDE3APPARGL3MBTL1PDE4A
SCHEMBL7314783 0.77 CASP6 (0.35) PDE3BPDE3ACYP2D6CYP2C19PPARG
SCHEMBL7310962 0.75 PDE3B (0.43) PDE3BPDE3ACYP1A2CYP3A4CYP2C19

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