SCHEMBL20104863

SCHEMBL20104863

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.40
MAPK1 P28482 1/20 0.40
ASAH2 Q9NR71 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ASAH1 Q13510 1/20 0.36
ACER2 Q5QJU3 1/20 0.36
ESR2 Q92731 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DPP4 P27487 1/20 0.34
DNM1 Q05193 1/20 0.33
PTGS2 P35354 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
SCHEMBL20113578 0.88 KMT2A (0.54) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL2009659 0.86 MEN1 (0.51) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL13396654 0.84 FAAH (0.50) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL2011698 0.81 MEN1 (0.49) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL16124647 0.80 FAAH (0.36) KMT2AMEN1FAAHMAPK1ASAH2
SCHEMBL13396604 0.80 FAAH (0.38) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL13396623 0.79 PLA2G2A (0.49) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL20104862 0.79 HPGD (0.46) FAAHSMN1; SMN2CYP2D6CYP2C19GAA
SCHEMBL16124621 0.78 CNR2 (0.37) KMT2AALDH1A1ESR2DPP4PTGS2
SCHEMBL13396678 0.78 ALDH1A1 (0.42) KMT2AMEN1FAAHMAPK1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol NICOX S.A. (FR) 2019-05-07 US disclosed
US-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL NICOX S.A. (FR) 2018-05-03 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 (2 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-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL PTGIS, NOS2, PTGIR KMT2A 4013/4885MEN1 3031/4885FAAH 650/4885
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol PTGIS, NOS2, PTGIR KMT2A 4013/4885MEN1 3031/4885FAAH 650/4885

“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.