SCHEMBL7308733

SCHEMBL7308733

Cc1cc(OCCCCCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc(C=O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
KMT2A Q03164 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
S1PR1 P21453 1/20 0.33
LTA4H P09960 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLA2G4A P47712 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
SCHEMBL7316727 0.86 PDE3B (0.40) PDE3BPDE3AALDH1A1MAPTL3MBTL1
SCHEMBL7320214 0.85 PDE3B (0.39) PDE3BPDE3AALDH1A1MAPTL3MBTL1
SCHEMBL10376732 0.85 PDE3B (0.44) PDE3BPDE3AALDH1A1MAPTL3MBTL1
SCHEMBL7310244 0.82 L3MBTL1 (0.39) PDE3BPDE3AALDH1A1MAPTL3MBTL1
SCHEMBL10375858 0.81 ALDH1A1 (0.39) PDE3BPDE3AALDH1A1MAPTL3MBTL1
SCHEMBL7309568 0.81 PDE3B (0.47) PDE3BPDE3AALDH1A1MAPTL3MBTL1
SCHEMBL7311187 0.81 MCL1 (0.43) PDE3BPDE3AMAPTTHRATHRB
Hydrochloric Acid SCHEMBL7305466 0.80 MCL1 (0.42) PDE3BPDE3AMAPTTHRATHRB
SCHEMBL10375666 0.80 PDE3B (0.47) PDE3BPDE3AALDH1A1MAPTL3MBTL1
SCHEMBL7319384 0.78 MAPT (0.40) ALDH1A1MAPTL3MBTL1KMT2ATHRA

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