SCHEMBL20104906

SCHEMBL20104906

CC(C)CCNC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
LMNA P02545 3/20 0.41
PKM P14618 1/20 0.41
CNR1 P21554 2/20 0.40
POLB P06746 2/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 3/20 0.35
NAMPT P43490 2/20 0.35
PTGS2 P35354 3/20 0.34
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
PTGS1 P23219 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 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
SCHEMBL10119571 0.88 CNR1 (0.36) CNR1PTGS2PTGS1
SCHEMBL20104867 0.88 HPGD (0.39) HPGDPKMPOLBCYP2C19PTGS2
SCHEMBL20100741 0.87 HPGD (0.44) HPGDLMNAPKMCNR1POLB
SCHEMBL20113580 0.85 FAAH (0.39) HPGDPTGS2PTGS1
SCHEMBL20100773 0.85 HPGD (0.38) HPGDLMNAPKMCNR1POLB
SCHEMBL18115163 0.82 CA1 (0.33) PTGS2GAAPTGS1MEN1KMT2A
SCHEMBL20104860 0.81 ALDH1A1 (0.36) LMNAPTGS2PTGS1SMN1; SMN2ALDH1A1
SCHEMBL13397048 0.80 NOD1 (0.42)
SCHEMBL13396744 0.79 NOD1 (0.44)
SCHEMBL12753918 0.79 PTGS2 (0.37) LMNAPTGS2PTGS1

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 3 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-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID NICOX S.A. (FR) 2018-05-03 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 (3 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 HPGD 7/4885LMNA 3760/4885PKM 2493/4885
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol PTGIS, NOS2, PTGIR HPGD 7/4885LMNA 3760/4885PKM 2493/4885
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 HPGD 10/4885LMNA 2439/4885PKM 2745/4885

“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.