SCHEMBL3461763

SCHEMBL3461763

O=C(CC(=O)C(F)(F)F)c1ccc(S(=O)(=O)O)s1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.42
PLOD3 O60568 2/20 0.41
PLOD1 Q02809 2/20 0.41
ERCC5 P28715 4/20 0.41
FEN1 P39748 4/20 0.41
HDAC4 P56524 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
HDAC1 Q13547 4/20 0.35
GSK3B P49841 2/20 0.34
HDAC3 O15379 3/20 0.32
CES1 P23141 1/20 0.32
DAO P14920 1/20 0.31

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
SCHEMBL3460989 0.86 PLOD2 (0.41) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL10876692 0.77 GSK3B (0.59) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL28407046 0.77 PLOD2 (0.47) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL28409166 0.76 PLOD2 (0.46) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL5551328 0.76 DAO (0.48) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL347869 0.76 GSK3B (0.58) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL347813 0.72 PLOD2 (0.42) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL5903783 0.72 PLOD2 (0.42) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL15851416 0.70 LMNA (0.48) LMNAPPARGNCOA2NCOA1NPSR1
SCHEMBL3244368 0.70 HDAC4 (0.68) PLOD2PLOD3PLOD1ERCC5FEN1

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
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO disclosed