SCHEMBL20100735

SCHEMBL20100735

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 3/20 0.34
FAAH O00519 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
PLA2G10 O15496 2/20 0.32
ASAH2 Q9NR71 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
ASAH1 Q13510 1/20 0.32
ACER2 Q5QJU3 1/20 0.32
NPSR1 Q6W5P4 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
GAA P10253 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
SCHEMBL20104860 0.86 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL20113587 0.85 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL20109406 0.84 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL16124654 0.82 ALDH1A1 (0.41) ALDH1A1KMT2AFAAHMEN1MAPK1
SCHEMBL20100739 0.81 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL20100734 0.81 HPGD (0.40) SMN1; SMN2POLBCYP2D6CYP2C19GAA
SCHEMBL20100741 0.80 HPGD (0.44) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL10119573 0.78 TSHR (0.44) ALDH1A1LMNAMAPTL3MBTL1CYP3A4
SCHEMBL10119574 0.77 AKR1B1 (0.36) ALDH1A1LMNAKMT2AMEN1
SCHEMBL10104155 0.77 AKR1B1 (0.36) ALDH1A1LMNAKMT2AMEN1

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 SMN1; SMN2 4789/4885ALDH1A1 584/4885LMNA 3760/4885
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 SMN1; SMN2 4557/4885ALDH1A1 665/4885LMNA 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.