SCHEMBL20113586

SCHEMBL20113586

CCNC(=O)COCCO[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
MCL1 Q07820 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FAAH O00519 1/20 0.32
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 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
SCHEMBL20975838 0.84 KMT2A (0.47) BCHEMEN1KMT2AFAAH
SCHEMBL2014540 0.83 RAB9A (0.40) RAB9AL3MBTL1BCHEKDM4EHPGD
SCHEMBL20104858 0.82 PKM (0.41) RAB9AL3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL2014773 0.80 FAAH (0.42) RAB9AL3MBTL1BCHEKDM4EHPGD
SCHEMBL20104904 0.80 POLB (0.42) L3MBTL1KDM4EHPGDNPC1SMN1; SMN2
SCHEMBL2014567 0.77 FAAH (0.48) BCHEHPGDSMN1; SMN2MCL1FAAH
SCHEMBL2011680 0.76 FAAH (0.52) BCHEHPGDFAAH
SCHEMBL24474128 0.76 RAB9A (0.41) RAB9AHPGDNPC1SMN1; SMN2LMNA
SCHEMBL12147609 0.76 FAAH (0.41) RAB9AKDM4EHPGDNPC1SMN1; SMN2
SCHEMBL30610964 0.76 ALDH1A1 (0.43) RAB9AKDM4EHPGDNPC1SMN1; SMN2

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 RAB9A 2397/4885L3MBTL1 4387/4885BCHE 2116/4885

“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.