SCHEMBL7129223

SCHEMBL7129223

CC(=O)OCC(Br)(CO)[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
GALR3 O60755 1/20 0.32

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
SCHEMBL1434500 0.90 LMNA (0.46) LMNAALDH1A1HSD17B10TP53MAPT
SCHEMBL5576745 0.79 LMNA (0.37) LMNAALDH1A1HSD17B10TP53MAPT
SCHEMBL11528628 0.79 LMNA (0.37) LMNAALDH1A1HSD17B10TP53MAPT
Debropol SCHEMBL28989479 0.76 LMNA (0.37) LMNAALDH1A1TP53MAPT
Bronopol SCHEMBL23260 0.75
Bronopol SCHEMBL7069554 0.75 LMNA (1.00) LMNAALDH1A1
SCHEMBL14733092 0.74 ALDH1A1 (0.39) LMNAALDH1A1HSD17B10GALR3
SCHEMBL8400164 0.74 ALDH1A1 (0.39) LMNAALDH1A1HSD17B10GALR3
SCHEMBL11568539 0.74 MAPK1 (0.56) LMNAALDH1A1
Bronopol SCHEMBL1702852 0.73 LMNA (0.85) LMNAALDH1A1

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
JP-2003246703-A GERMICIDAL-PRESERVATIVE AGENT AND GERMICIDAL AND PRESERVATIVE METHOD K I CHEMICAL INDUSTRY CO LTD 2003-09-02 JP disclosed
JP-2003238314-A ANTIBACTERIAL ALGICIDE AND METHOD FOR ANTIBACTERIAL ALGICIDAL TREATMENT K I CHEMICAL INDUSTRY CO LTD 2003-08-27 JP disclosed