Ethaneperoxoic Acid

Ethaneperoxoic Acid

SCHEMBL27779608

CC(=O)OO.O=[N+]([O-])C(Br)=Cc1ccccc1

nearest known ligand 0.75

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.75
AKR1C3 P42330 1/20 0.47
PRMT1 Q99873 1/20 0.46
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL205355 0.87 FBP1 (1.00) FBP1AKR1C3PRMT1MEN1KMT2A
SCHEMBL205356 0.87 FBP1 (1.00) FBP1AKR1C3PRMT1MEN1KMT2A
SCHEMBL2820854 0.87 FBP1 (1.00) FBP1AKR1C3PRMT1MEN1KMT2A
Propionamide SCHEMBL9722392 0.81 FBP1 (0.75) FBP1AKR1C3PRMT1HTTMEN1
SCHEMBL11224683 0.74 FBP1 (0.59) FBP1AKR1C3PRMT1HTTMEN1
SCHEMBL8856279 0.73 FBP1 (0.68) FBP1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL8856283 0.73 FBP1 (0.68) FBP1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL27793237 0.72 FBP1 (0.62) FBP1ALDH1A1TSHRCYP1A2
SCHEMBL1749791 0.72 FBP1 (1.00) FBP1AKR1C3PRMT1HTTMEN1
SCHEMBL1032131 0.72 FBP1 (1.00) FBP1AKR1C3PRMT1HTTMEN1

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
CN-101553120-B Method for preventing microbial growth and combination for preventing microbial growth KEMIRA OY 2014-02-19 CN disclosed
CN-101553120-A Method for preventing microbial growth and combination for preventing microbial growth KEMIRA OYJ (FI) 2009-10-07 CN disclosed