SCHEMBL20100733

SCHEMBL20100733

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
CNR1 P21554 2/20 0.39
POLB P06746 3/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 3/20 0.35
PKM P14618 1/20 0.35
HTT P42858 3/20 0.34
CYP3A4 P08684 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
TLR2 O60603 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NAMPT P43490 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 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
SCHEMBL20100773 0.89 HPGD (0.38) HPGDCNR1POLBCYP2C19LMNA
SCHEMBL20100740 0.87 TLR2 (0.39) HPGDPOLBCYP2C19LMNAPKM
SCHEMBL20100741 0.83 HPGD (0.44) HPGDCNR1POLBCYP2C19LMNA
SCHEMBL20109405 0.80 HPGD (0.40) HPGDCNR1POLBCYP2C19LMNA
SCHEMBL20100739 0.80 ALDH1A1 (0.33) LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL12753882 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20104905 0.78 CASP2 (0.38) HPGDCNR1TLR2MMP9MMP8
SCHEMBL20104906 0.76 HPGD (0.42) HPGDCNR1POLBCYP2C19LMNA
SCHEMBL20113584 0.76 PTGS2 (0.36) HPGDPOLBCYP2C19LMNAPKM
SCHEMBL20113579 0.75 PTGS2 (0.35) TLR2

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 7/4885CNR1 766/4885POLB 1692/4885
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 HPGD 10/4885CNR1 1682/4885POLB 3175/4885

“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.