SCHEMBL20100744

SCHEMBL20100744

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
PKM P14618 1/20 0.33
GAA P10253 1/20 0.33
TLR2 O60603 2/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 4/20 0.32
LMNA P02545 2/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 1/20 0.30
ALOX12 P18054 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL20109405 0.86 HPGD (0.40) HPGDSMN1; SMN2PKMGAAPOLB
SCHEMBL20113584 0.85 PTGS2 (0.36) HPGDSMN1; SMN2PKMGAATLR2
SCHEMBL20100738 0.81 SMN1; SMN2 (0.34) HPGDSMN1; SMN2GAALMNAALDH1A1
SCHEMBL20100740 0.78 TLR2 (0.39) HPGDSMN1; SMN2PKMGAATLR2
SCHEMBL25602351 0.77 HPGD (0.50) HPGDSMN1; SMN2CYP2D6CYP2C19EPHX2
SCHEMBL20104862 0.75 HPGD (0.46) HPGDSMN1; SMN2PKMGAATLR2
SCHEMBL20104858 0.74 PKM (0.41) HPGDSMN1; SMN2PKMGAAPOLB
SCHEMBL20104867 0.73 HPGD (0.39) HPGDSMN1; SMN2PKMGAAPOLB
SCHEMBL20100773 0.73 HPGD (0.38) HPGDSMN1; SMN2PKMGAATLR2
SCHEMBL24636691 0.72 HPGD (0.46) HPGDSMN1; SMN2TLR2CYP2D6CYP2C19

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-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 (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 7/4885SMN1; SMN2 4789/4885PKM 2493/4885
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 HPGD 10/4885SMN1; SMN2 4557/4885PKM 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.