SCHEMBL4621094

SCHEMBL4621094

COc1cccc(S(=O)(=O)N[C@@H](CO)C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 1/20 0.62
MEP1B Q16820 1/20 0.54
MMP2 P08253 6/20 0.51
MMP3 P08254 4/20 0.51
MMP13 P45452 4/20 0.51
MMP9 P14780 3/20 0.50
MMP1 P03956 3/20 0.50
MMP8 P22894 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PGR P06401 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
ADAMTS4 O75173 1/20 0.47
AKR1C3 P42330 1/20 0.47
KAT6A Q92794 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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
SCHEMBL4620040 1.00 ITGAV (0.62) ITGAVMEP1BMMP2MMP3MMP13
SCHEMBL4621800 1.00 ITGAV (0.62) ITGAVMEP1BMMP2MMP3MMP13
SCHEMBL4621504 0.83 MMP2 (0.66) MMP2MMP3MMP13MMP9MMP1
SCHEMBL4619626 0.83 MMP2 (0.66) MMP2MMP3MMP13MMP9MMP1
SCHEMBL4620929 0.83 MMP2 (0.66) MMP2MMP3MMP13MMP9MMP1
SCHEMBL4620884 0.82 ADAMTS4 (0.55) ITGAVMEP1BMMP2MMP3MMP13
SCHEMBL4619809 0.82 ADAMTS4 (0.55) ITGAVMEP1BMMP2MMP3MMP13
SCHEMBL4620675 0.82 ADAMTS4 (0.55) ITGAVMEP1BMMP2MMP3MMP13
SCHEMBL30445376 0.82 ITGAV (0.55) ITGAVMEP1BMMP2MMP3MMP13
SCHEMBL1734649 0.80 MMP2 (0.60) MMP2MMP3MMP13MMP9MMP1

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
EP-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP disclosed