SCHEMBL7320170

SCHEMBL7320170

CC(O)c1cc(OCCCCC(=O)N(C2CCCCC2)C2CCCCC2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 7/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.34
SIRT3 Q9NTG7 1/20 0.34
HTT P42858 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL7316866 0.85 ALDH1A1 (0.39) KMT2AGAAMEN1ALDH1A1SMN1; SMN2
SCHEMBL7306819 0.84 ALDH1A1 (0.38) KMT2AGAAMEN1ALDH1A1SMN1; SMN2
SCHEMBL7321124 0.82 PDE3B (0.43) KMT2AGAAMEN1ALDH1A1HPGD
SCHEMBL7303053 0.81 MEN1 (0.37) KMT2AGAAMEN1ALDH1A1SMN1; SMN2
SCHEMBL7312687 0.80 PDE3B (0.47) KMT2AGAAMEN1ALDH1A1HPGD
SCHEMBL7314747 0.79 SIGMAR1 (0.38) KMT2AGAAMEN1ALDH1A1SMN1; SMN2
SCHEMBL7308594 0.78 NPSR1 (0.38) KMT2AGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL7311336 0.76 SIRT3 (0.36) KMT2AGAAMEN1ALDH1A1SMN1; SMN2
SCHEMBL10377348 0.75 PDE3B (0.52) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL7317566 0.75 THRB (0.44) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A

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