SCHEMBL20113580

SCHEMBL20113580

CCNC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
PTGS2 P35354 4/20 0.34
PTGS1 P23219 2/20 0.34
CAPN1 P07384 2/20 0.33
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
BCHE P06276 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
SCHEMBL10119571 0.89 CNR1 (0.36) FAAHPTGS2PTGS1TSHRBCHE
SCHEMBL20104867 0.86 HPGD (0.39) PTGS2PTGS1HPGD
SCHEMBL20104906 0.85 HPGD (0.42) PTGS2PTGS1HPGD
SCHEMBL20113579 0.82 PTGS2 (0.35) FAAHPTGS2PTGS1BCHE
SCHEMBL13863668 0.81 TSHR (0.41) PTGS2PTGS1HDAC3HDAC1HDAC2
SCHEMBL13396641 0.81 PTPN1 (0.45) FAAHPTGS2PTGS1HDAC3HDAC1
SCHEMBL20104860 0.81 ALDH1A1 (0.36) PTGS2PTGS1
SCHEMBL18115163 0.80 CA1 (0.33) PTGS2PTGS1CAPN1
SCHEMBL13396744 0.80 NOD1 (0.44)
SCHEMBL398591 0.79 PTGS2 (0.38) PTGS2PTGS1TSHR

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-10280138-B2 Nitric oxide donating derivatives of fluprostenol NICOX S.A. (FR) 2019-05-07 US disclosed
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 (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-10280138-B2 Nitric oxide donating derivatives of fluprostenol PTGIS, NOS2, PTGIR FAAH 650/4885PTGS2 9/4885PTGS1 6/4885
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 FAAH 233/4885PTGS2 9/4885PTGS1 5/4885

“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.