SCHEMBL21538657

SCHEMBL21538657

Cc1ccc(S(=O)(=O)NC(C(=O)O)C(C)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 13/20 0.73
MMP2 P08253 13/20 0.73
MMP3 P08254 10/20 0.73
MMP13 P45452 10/20 0.73
MMP1 P03956 9/20 0.73
MMP7 P09237 9/20 0.73
SLC1A3 P43003 1/20 0.70
SLC1A2 P43004 1/20 0.70
SLC1A1 P43005 1/20 0.70
ADAMTS4 O75173 3/20 0.57
MMP14 P50281 1/20 0.55
MMP8 P22894 1/20 0.52

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
SCHEMBL6302637 1.00 MMP9 (0.73) MMP9MMP2MMP3MMP13MMP1
SCHEMBL6296214 1.00 MMP9 (0.73) MMP9MMP2MMP3MMP13MMP1
SCHEMBL13502397 0.91 MMP9 (0.69) MMP9MMP2MMP3MMP13MMP1
SCHEMBL4588942 0.89 MMP9 (0.91) MMP9MMP2MMP3MMP13MMP1
SCHEMBL3964630 0.89 MMP9 (0.91) MMP9MMP2MMP3MMP13MMP1
SCHEMBL6446613 0.89 MMP9 (0.91) MMP9MMP2MMP3MMP13MMP1
SCHEMBL12467075 0.86 MMP2 (0.56) MMP9MMP2MMP3MMP13MMP1
SCHEMBL16004878 0.86 MMP2 (0.74) MMP9MMP2MMP3MMP13MMP1
SCHEMBL28824379 0.86 MMP2 (0.74) MMP9MMP2MMP3MMP13MMP1
SCHEMBL28042875 0.86 MMP2 (0.74) MMP9MMP2MMP3MMP13MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101830765-A Method for synthesizing o-halohydrin UNIV FUDAN 2010-09-15 CN claimed
WO-2019208721-A1 HAIR MOISTURIZER, WHITENING AGENT, AND WHITENING COSMETIC 株式会社成和化成 (JP) 2019-10-31 WO disclosed
CN-101830765-A Method for synthesizing o-halohydrin UNIV FUDAN 2010-09-15 CN disclosed