SCHEMBL7313849

SCHEMBL7313849

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
CASP6 P55212 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE3B Q13370 9/20 0.34
PDE3A Q14432 9/20 0.34
KMT2A Q03164 1/20 0.34
PDE2A O00408 2/20 0.32
P2RY12 Q9H244 2/20 0.32
PPARG P37231 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL7315054 0.99 L3MBTL1 (0.38) L3MBTL1CASP6SMN1; SMN2POLBKDM4E
SCHEMBL10375733 0.88 PDE3B (0.39) L3MBTL1CASP6SMN1; SMN2POLBKDM4E
SCHEMBL7311657 0.88 L3MBTL1 (0.39) L3MBTL1CASP6SMN1; SMN2POLBKDM4E
SCHEMBL7321041 0.87 CASP6 (0.35) L3MBTL1CASP6SMN1; SMN2PDE3BPDE3A
SCHEMBL7303043 0.87 CASP6 (0.35) L3MBTL1CASP6PDE3BPDE3APDE2A
SCHEMBL7320491 0.87 L3MBTL1 (0.38) L3MBTL1CASP6SMN1; SMN2POLBKDM4E
SCHEMBL7320624 0.86 L3MBTL1 (0.37) L3MBTL1CASP6SMN1; SMN2POLBKDM4E
SCHEMBL7317245 0.83 PDE3B (0.44) L3MBTL1KDM4ECYP2D6CYP2C19PDE3B
SCHEMBL7312890 0.83 CASP6 (0.37) L3MBTL1CASP6SMN1; SMN2PDE3BPDE3A
SCHEMBL7320520 0.83 PDE3B (0.47) KDM4ECYP2C19PDE3BPDE3AKMT2A

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