SCHEMBL7313337

SCHEMBL7313337

CCN(C)C(=O)CCCOc1ccc([N+](=O)[O-])c(C=O)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 4/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 8/20 0.35
MAPT P10636 4/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL7307583 0.85 MAPT (0.43) KDM4EGAAHPGDSMN1; SMN2NPC1
SCHEMBL7310810 0.84 THRA (0.40) BCHEACHETHRATHRBKDM4E
SCHEMBL7307134 0.83 FFAR1 (0.39) KDM4EHPGDSMN1; SMN2NPC1TSHR
SCHEMBL7318364 0.82 THRA (0.39) BCHEACHETHRATHRBKDM4E
Hydrochloric Acid SCHEMBL7307724 0.82 FFAR1 (0.39) KDM4EHPGDSMN1; SMN2NPC1TSHR
SCHEMBL7307717 0.82 ALDH1A1 (0.37) THRATHRBKDM4EGAAHPGD
SCHEMBL7312365 0.78 THRA (0.46) BCHEACHETHRATHRBKDM4E
SCHEMBL10377089 0.76 SIRT5 (0.43) BCHEACHEKDM4EHPGDSMN1; SMN2
SCHEMBL7317201 0.74 MAPT (0.45) THRATHRBKDM4EGAAHPGD
SCHEMBL34473178 0.74 MAPT (0.38) KDM4EHPGDSMN1; 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