SCHEMBL5072264

SCHEMBL5072264

NC(Cl)(CCCP(=O)(O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.42
GRM4 Q14833 1/20 0.42
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
FDPS P14324 1/20 0.35
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34

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
SCHEMBL27649059 0.76 TYMS (0.42) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL406848 0.74 TYMS (0.50) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL5359243 0.72 ODC1 (0.45) LMNANFKB1BLMPMP22ALDH1A1
SCHEMBL14860368 0.72 ODC1 (0.45) LMNANFKB1BLMPMP22ALDH1A1
SCHEMBL16267868 0.72 TYMS (0.48) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL5540735 0.72 TYMS (0.48) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL29088269 0.72 TYMS (0.48) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL4413277 0.72 TYMS (0.52) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL1285912 0.68 TYMS (0.48) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL3023034 0.67 TYMS (0.46) TYMSGRM4LMNACYP3A4NFKB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102176818-A Antimicrobial gel formulations NOVABAY PHARMACEUTICALS INC 2011-09-07 CN claimed
EP-1896001-A1 N-HALOGENATED AMINO ACIDS AND N, N-DIHALOGENATED AMINO ACIDS IN COMBINATION WITH HYPOHALOUS ACIDS Novabay Pharmaceuticals, Inc. (US) 2008-03-12 EP claimed
CN-101132785-A N-halogenated amino acids and N, N-dihalogenated amino acids in combination with hypohalous acids NOVABAY PHARMACEUTICALS INC (US) 2008-02-27 CN claimed
WO-2006081392-A1 N-HALOGENATED AMINO ACIDS AND N, N-DIHALOGENATED AMINO ACIDS IN COMBINATION WITH HYPOHALOUS ACIDS NOVABAY PHARMACEUTICALS, INC. (US) 2006-08-03 WO claimed
CN-102176818-A Antimicrobial gel formulations NOVABAY PHARMACEUTICALS INC 2011-09-07 CN disclosed
CN-1902158-B N,N-dihalogenated amino acids and derivatives NOVACAL PHARMACEUTICALS INC 2011-04-06 CN disclosed
CN-101132785-A N-halogenated amino acids and N, N-dihalogenated amino acids in combination with hypohalous acids NOVABAY PHARMACEUTICALS INC (US) 2008-02-27 CN disclosed
CN-1902158-A N,N-dihalogenated amino acids and derivatives NOVACAL PHARMACEUTICALS INC (US) 2007-01-24 CN disclosed