SCHEMBL8398253

SCHEMBL8398253

CCOC(=O)C(Br)(Br)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 10/20 0.40
ALDH1A1 P00352 3/20 0.37
PIN1 Q13526 1/20 0.37
LMNA P02545 2/20 0.37
TRPA1 O75762 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL17674102 0.78 ALDH1A1 (0.40) FBP1ALDH1A1PIN1LMNAKDM4E
SCHEMBL11804056 0.77 FBP1 (0.44) FBP1ALDH1A1LMNAKDM4EPKM
SCHEMBL8412595 0.77 FBP1 (0.41) FBP1ALDH1A1LMNAKDM4EPKM
SCHEMBL28352706 0.76 CYP4F2 (0.42) ALDH1A1PIN1LMNATRPA1KDM4E
SCHEMBL28272742 0.75 CYP4F2 (0.39) FBP1ALDH1A1PIN1LMNAKDM4E
SCHEMBL7620521 0.75 FBP1 (0.38) FBP1ALDH1A1PIN1LMNAKDM4E
SCHEMBL5528368 0.75 FBP1 (0.37) FBP1ALDH1A1LMNAKDM4EPKM
SCHEMBL11803604 0.73 FBP1 (0.39) FBP1ALDH1A1KDM4EPKMMEN1
SCHEMBL8400791 0.73 PKM (0.43) FBP1ALDH1A1LMNAKDM4EPKM
SCHEMBL297524 0.72

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-5912389-A HALOGENATED ACETIC ACID OR COMPOUND CAPABLE OF RELEASING (HALOGENATED) ACETIC ACID; STORAGE STABILITY KATAYAMA CHEMICAL, INC. (JP) 1999-06-15 US claimed