SCHEMBL9636037

SCHEMBL9636037

O=[N+]([O-])C(Br)(CO)C(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.44
LMNA P02545 5/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
APP P05067 1/20 0.35
AOC3 Q16853 1/20 0.35
NPC1 O15118 1/20 0.35
ADAM17 P78536 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.34
CPA1 P15085 3/20 0.33
ACP3 P15309 1/20 0.33
FBP1 P09467 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
SCHEMBL9636215 0.78 ALDH1A1 (0.43) GSRLMNAKDM4EALDH1A1CES2
SCHEMBL7525206 0.73 GSR (0.39) GSRLMNAKDM4EALDH1A1CES2
SCHEMBL4795696 0.73 LMNA (0.52) LMNA
SCHEMBL2026178 0.73 LMNA (0.52) LMNA
SCHEMBL443077 0.73 ALDH1A1 (0.69) GSRLMNAKDM4EALDH1A1CES2
SCHEMBL904219 0.71 GSR (0.42) GSRLMNAKDM4EALDH1A1AOC3
SCHEMBL92233 0.70 LMNA (0.48) LMNAKDM4EALDH1A1
SCHEMBL15632756 0.70 LMNA (0.48) LMNAALDH1A1
SCHEMBL13875108 0.67 LMNA (0.45) LMNAALDH1A1
Nitric Acid SCHEMBL9803283 0.67 GSR (0.53) GSRLMNAKDM4EALDH1A1AOC3

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
EP-0362713-B1 PROCESS FOR THE REMOVAL OF SULFIDES UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (a New York corporation) (US) 1992-06-24 EP disclosed
EP-0362713-A1 Process for the removal of sulfides UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (a New York corporation) (US) 1990-04-11 EP disclosed
US-4844877-A HALONITROALKANOL AS SCAVENGER UNION CARBIDE CORPORATION (US) 1989-07-04 US disclosed