SCHEMBL16124647

SCHEMBL16124647

CC(=O)C(NC(=O)CCCCCO[N+](=O)[O-])C(C)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DPP4 P27487 2/20 0.34
PTGS2 P35354 1/20 0.33
ESR2 Q92731 2/20 0.32
EPHX2 P34913 2/20 0.32
ASAH2 Q9NR71 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ASAH1 Q13510 1/20 0.31
ACER2 Q5QJU3 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
SCHEMBL16124688 0.94 LMNA (0.33) FAAHMEN1MAPK1KMT2ALMNA
SCHEMBL13396604 0.89 FAAH (0.38) FAAHMEN1MAPK1KMT2ALMNA
SCHEMBL16124618 0.84 PTGS2 (0.38) PTGS2
SCHEMBL13396603 0.83 FAAH (0.34) FAAHLMNACYP3A4CYP2D6CYP2C9
SCHEMBL20113578 0.83 KMT2A (0.54) FAAHMEN1MAPK1KMT2ADPP4
SCHEMBL16124619 0.82 PTGS2 (0.39) PTGS2ESR2
SCHEMBL2009659 0.81 MEN1 (0.51) FAAHMEN1MAPK1KMT2ADPP4
SCHEMBL20104863 0.80 KMT2A (0.40) FAAHMEN1MAPK1KMT2ALMNA
SCHEMBL16124621 0.80 CNR2 (0.37) KMT2ADPP4PTGS2ESR2ALDH1A1
SCHEMBL13396678 0.79 ALDH1A1 (0.42) FAAHMEN1MAPK1KMT2ALMNA

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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 FAAH 1868/4885MEN1 438/4885MAPK1 1298/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.