SCHEMBL13396478

SCHEMBL13396478

NC(CCC(=O)O)C(=O)Oc1cccc(CCO[N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ FFAR1 O14842 5/20 0.38
▸ LTA4H P09960 4/20 0.37
▸ ACHE P22303 3/20 0.36
▸ PPARD Q03181 1/20 0.35
▸ FFAR4 Q5NUL3 3/20 0.35
▸ FDFT1 P37268 1/20 0.34

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
SCHEMBL13396500 0.94 PTGS1 (0.39) PTGS1PTGS2ALOX5FFAR1LTA4H
SCHEMBL13396490 0.89 ALOX5 (0.40) PTGS1PTGS2ALOX5FFAR1LTA4H
SCHEMBL13396468 0.86 FFAR1 (0.39) PTGS1PTGS2FFAR1LTA4HFFAR4
SCHEMBL13396357 0.86 ALOX5 (0.44) PTGS1PTGS2ALOX5ACHE
SCHEMBL13396417 0.86 ACHE (0.40) PTGS1PTGS2ALOX5LTA4HACHE
SCHEMBL13396460 0.83 ALOX5 (0.39) PTGS1PTGS2ALOX5ACHEFDFT1
SCHEMBL13417055 0.82 ACHE (0.40) FFAR1LTA4HACHEFFAR4
SCHEMBL13396434 0.81 MTNR1A (0.36) ALOX5ACHEFDFT1
SCHEMBL13396512 0.81 ACHE (0.40) PTGS1PTGS2ALOX5LTA4HACHE
SCHEMBL13396730 0.80 NAALAD2 (0.42) ALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266820-B2 Nitric oxide donor compounds NICOX SCIENCE IRELAND (IE) 2016-02-23 — — US disclosed
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 — — US disclosed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 — — 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 PTGS1 8/4885PTGS2 15/4885ALOX5 49/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 PTGS1 7/4885PTGS2 12/4885ALOX5 72/4885

“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.

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