SCHEMBL20100741

SCHEMBL20100741

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
CNR1 P21554 2/20 0.44
LMNA P02545 3/20 0.43
PKM P14618 1/20 0.43
POLB P06746 3/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 4/20 0.36
NAMPT P43490 2/20 0.36
NPC1 O15118 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 3/20 0.35
GLA P06280 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CNR2 P34972 1/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL20100734 0.88 HPGD (0.40) HPGDCNR1PKMPOLBCYP2C19
SCHEMBL20104906 0.87 HPGD (0.42) HPGDCNR1LMNAPKMPOLB
SCHEMBL20100733 0.83 HPGD (0.39) HPGDCNR1LMNAPKMPOLB
SCHEMBL20100735 0.80 SMN1; SMN2 (0.34) HPGDLMNAPOLBCYP2C19CYP3A4
SCHEMBL16124675 0.78 NOD1 (0.32) TSHR
SCHEMBL12753892 0.77 LMNA (0.38) LMNAALDH1A1
SCHEMBL12753881 0.77 LMNA (0.38) LMNAALDH1A1
SCHEMBL10119571 0.77 CNR1 (0.36) CNR1TSHR
SCHEMBL10119573 0.77 TSHR (0.44) LMNACYP3A4MAPTALDH1A1TSHR
SCHEMBL10119574 0.76 AKR1B1 (0.36) LMNAALDH1A1TSHRMEN1KMT2A

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 766/4885LMNA 3760/4885
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 HPGD 10/4885CNR1 1682/4885LMNA 2439/4885

“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.