SCHEMBL20104867

SCHEMBL20104867

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
EPHX2 P34913 5/20 0.36
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.35
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 1/20 0.32
RAB9A P51151 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP12 P39900 1/20 0.31
MMP14 P50281 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
RECQL P46063 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
SCHEMBL20104906 0.88 HPGD (0.42) HPGDPTGS2PTGS1PKMSMN1; SMN2
SCHEMBL20113580 0.86 FAAH (0.39) HPGDPTGS2PTGS1
SCHEMBL20100734 0.86 HPGD (0.40) HPGDEPHX2PKMSMN1; SMN2GAA
SCHEMBL10119571 0.84 CNR1 (0.36) PTGS2PTGS1MMP2MMP9MMP8
SCHEMBL20113584 0.83 PTGS2 (0.36) HPGDEPHX2PTGS2PTGS1PKM
SCHEMBL20104860 0.82 ALDH1A1 (0.36) PTGS2PTGS1SMN1; SMN2ALDH1A1
SCHEMBL13863668 0.79 TSHR (0.41) PTGS2PTGS1ALDH1A1
SCHEMBL13396641 0.79 PTPN1 (0.45) HPGDPTGS2PTGS1GAAPOLB
SCHEMBL18115163 0.78 CA1 (0.33) PTGS2PTGS1GAARECQL
SCHEMBL398399 0.77 PTGS2 (0.38) PTGS2PTGS1

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 HPGD 7/4885EPHX2 828/4885PTGS2 9/4885
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol PTGIS, NOS2, PTGIR HPGD 7/4885EPHX2 828/4885PTGS2 9/4885

“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.