SCHEMBL20109405

SCHEMBL20109405

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
POLB P06746 3/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 3/20 0.36
PKM P14618 1/20 0.36
HTT P42858 3/20 0.36
CNR1 P21554 2/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NAMPT P43490 2/20 0.33
ANPEP P15144 3/20 0.33
RNPEP Q9H4A4 2/20 0.33
DNPEP Q9ULA0 2/20 0.33
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20100744 0.86 HPGD (0.37) HPGDPOLBCYP2C19LMNAPKM
SCHEMBL20100773 0.86 HPGD (0.38) HPGDPOLBCYP2C19LMNAPKM
SCHEMBL20100733 0.80 HPGD (0.39) HPGDPOLBCYP2C19LMNAPKM
SCHEMBL20100738 0.78 SMN1; SMN2 (0.34) HPGDLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL20104903 0.77 HPGD (0.49) HPGDPOLBCYP2C19LMNAPKM
SCHEMBL20104906 0.75 HPGD (0.42) HPGDPOLBCYP2C19LMNAPKM
SCHEMBL20104904 0.75 POLB (0.42) HPGDPOLBCYP2C19LMNAPKM
SCHEMBL24356349 0.74 HPGD (0.50) HPGDPOLBLMNAPKMHTT
SCHEMBL25836805 0.74 HPGD (0.50) HPGDPOLBLMNAPKMHTT
SCHEMBL26366263 0.74 HPGD (0.50) HPGDPOLBLMNAPKMHTT

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 HPGD 10/4885POLB 3175/4885CYP2C19 57/4885

“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.