SCHEMBL20100740

SCHEMBL20100740

CCC(COCCC(=O)NCC(C)C)O[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.39
HPGD P15428 3/20 0.36
PKM P14618 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 3/20 0.31
CYP2C19 P33261 3/20 0.31
EPHX2 P34913 2/20 0.31
EPHX1 P07099 1/20 0.31
MAPK1 P28482 4/20 0.30
MEN1 O00255 2/20 0.30
GMNN O75496 2/20 0.30
LMNA P02545 2/20 0.30
MAPT P10636 2/20 0.30
BLM P54132 2/20 0.30
KMT2A Q03164 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
TP53 P04637 2/20 0.30
CYP3A4 P08684 2/20 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
SCHEMBL20113584 0.88 PTGS2 (0.36) TLR2HPGDPKMGAASMN1; SMN2
SCHEMBL20100733 0.87 HPGD (0.39) TLR2HPGDPKMGAASMN1; SMN2
SCHEMBL20100739 0.82 ALDH1A1 (0.33) SMN1; SMN2LMNAMAPT
SCHEMBL20100734 0.81 HPGD (0.40) HPGDPKMGAASMN1; SMN2POLB
SCHEMBL20100744 0.78 HPGD (0.37) TLR2HPGDPKMGAASMN1; SMN2
SCHEMBL20113579 0.77 PTGS2 (0.35) TLR2
SCHEMBL20100773 0.76 HPGD (0.38) TLR2HPGDPKMGAASMN1; SMN2
SCHEMBL12753882 0.75 ALDH1A1 (0.31)
SCHEMBL25602351 0.74 HPGD (0.50) HPGDSMN1; SMN2CYP2D6CYP2C19EPHX2
SCHEMBL20104905 0.74 CASP2 (0.38) TLR2HPGDKMT2ATSHR

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-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL NICOX S.A. (FR) 2018-05-03 US disclosed
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID 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 TLR2 4419/4885HPGD 7/4885PKM 2493/4885
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 TLR2 4297/4885HPGD 10/4885PKM 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.