SCHEMBL7312110

SCHEMBL7312110

CC(=O)OCCN(C(=O)CCCCOc1c(C)ccc([N+](=O)[O-])c1C=O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
CASP6 P55212 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
PDE3B Q13370 5/20 0.34
PDE3A Q14432 5/20 0.34
PDE2A O00408 4/20 0.34
P2RY12 Q9H244 4/20 0.34
LMNA P02545 1/20 0.33
PPARG P37231 1/20 0.32
HTT P42858 3/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7308663 0.90 PDE3B (0.38) KMT2AMEN1GAACASP6ALDH1A1
SCHEMBL7310470 0.90 KMT2A (0.37) KMT2AMEN1GAACASP6ALDH1A1
SCHEMBL7317991 0.87 CASP6 (0.37) KMT2AMEN1GAACASP6ALDH1A1
SCHEMBL7320492 0.85 CASP6 (0.36) KMT2AMEN1GAACASP6ALDH1A1
SCHEMBL7320425 0.84 PDE3B (0.37) KMT2AMEN1GAACASP6ALDH1A1
SCHEMBL7319907 0.82 PDE3B (0.37) KMT2AMEN1GAACASP6ALDH1A1
SCHEMBL7319280 0.82 CASP6 (0.35) KMT2AMEN1GAACASP6ALDH1A1
SCHEMBL7308660 0.81 MEN1 (0.37) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL7320624 0.80 L3MBTL1 (0.37) KMT2ACASP6ALDH1A1MAPTPDE3B
SCHEMBL7306577 0.80 PDE3B (0.44) KMT2AMEN1ALDH1A1PDE3BPDE3A

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