SCHEMBL7320618

SCHEMBL7320618

CCCC(OC(C)=O)N(C(=O)CCCOc1cccc([N+](=O)[O-])c1C=O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
MAPT P10636 6/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CASP6 P55212 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
SCHEMBL7315049 0.88 L3MBTL1 (0.37) L3MBTL1PDE3BPDE3AMAPTKMT2A
SCHEMBL7311761 0.83 PDE3B (0.36) L3MBTL1PDE3BPDE3AMAPTKMT2A
SCHEMBL10374990 0.82 L3MBTL1 (0.41) L3MBTL1PDE3BPDE3AMAPTKMT2A
SCHEMBL7311792 0.81 PDE3B (0.48) PDE3BPDE3AKMT2AMEN1ALDH1A1
SCHEMBL10377014 0.81 SMN1; SMN2 (0.39) L3MBTL1PDE3BPDE3AMAPTKMT2A
SCHEMBL7303038 0.79 PDE3B (0.36) L3MBTL1PDE3BPDE3AMAPTKMT2A
SCHEMBL10375053 0.79 THRA (0.40) L3MBTL1PDE3BPDE3AMAPTKMT2A
SCHEMBL10374810 0.78 PDE3B (0.45) L3MBTL1PDE3BPDE3AMAPTKMT2A
SCHEMBL10376587 0.78 L3MBTL1 (0.39) L3MBTL1MAPTKMT2AMEN1MAPK1
SCHEMBL10375748 0.78 L3MBTL1 (0.41) L3MBTL1MAPTKMT2AMEN1MAPK1

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