SCHEMBL7319397

SCHEMBL7319397

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
RECQL P46063 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.33
PDE2A O00408 1/20 0.33
P2RY12 Q9H244 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
SCHEMBL7311657 0.90 L3MBTL1 (0.39) CASP6L3MBTL1SMN1; SMN2POLBKDM4E
SCHEMBL10374564 0.88 PDE3B (0.40) CASP6L3MBTL1SMN1; SMN2POLBKDM4E
SCHEMBL7311776 0.86 PDE3B (0.48) KDM4ECYP2C19PDE3BPDE3AALDH1A1
SCHEMBL7307953 0.86 PDE3B (0.42) CASP6L3MBTL1SMN1; SMN2POLBKDM4E
SCHEMBL7312011 0.85 CASP6 (0.38) CASP6L3MBTL1SMN1; SMN2POLBKDM4E
SCHEMBL7318210 0.80 PDE3B (0.43) KDM4ECYP2C19PDE3BPDE3AMAPT
SCHEMBL7313559 0.80 PDE3B (0.37) CASP6SMN1; SMN2PDE3BPDE3AMAPT
SCHEMBL10752815 0.79 PDE3B (0.46) L3MBTL1SMN1; SMN2POLBKDM4ECYP2D6
SCHEMBL7320624 0.79 L3MBTL1 (0.37) CASP6L3MBTL1SMN1; SMN2POLBKDM4E
SCHEMBL7320491 0.78 L3MBTL1 (0.38) CASP6L3MBTL1SMN1; SMN2POLBKDM4E

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