SCHEMBL7320491

SCHEMBL7320491

CC(=O)OCCCCCCN(C(=O)CCCOc1cccc([N+](=O)[O-])c1C=O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP6 P55212 1/20 0.35
PDE3B Q13370 6/20 0.35
PDE3A Q14432 6/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 1/20 0.35
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
PDE2A O00408 1/20 0.33
P2RY12 Q9H244 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 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
SCHEMBL7320624 0.99 L3MBTL1 (0.37) L3MBTL1KDM4ECYP2D6CYP2C19CASP6
SCHEMBL10375053 0.91 THRA (0.40) L3MBTL1KDM4ECYP2D6CYP2C19CASP6
SCHEMBL7311982 0.90 PDE3B (0.43) L3MBTL1KDM4ECYP2D6CYP2C19PDE3B
SCHEMBL7311657 0.89 L3MBTL1 (0.39) L3MBTL1KDM4ECYP2D6CYP2C19CASP6
SCHEMBL10376587 0.88 L3MBTL1 (0.39) L3MBTL1KDM4ECYP2D6CYP2C19CASP6
SCHEMBL10374992 0.88 PDE3B (0.39) L3MBTL1KDM4ECYP2D6CYP2C19PDE3B
SCHEMBL10375748 0.88 L3MBTL1 (0.41) L3MBTL1KDM4ECYP2D6CYP2C19CASP6
SCHEMBL7319280 0.87 CASP6 (0.35) L3MBTL1KDM4ECASP6PDE3BPDE3A
SCHEMBL7313849 0.87 L3MBTL1 (0.39) L3MBTL1KDM4ECYP2D6CYP2C19CASP6
SCHEMBL7311765 0.87 CASP6 (0.35) L3MBTL1CASP6PDE3BPDE3AALDH1A1

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