SCHEMBL8776693

SCHEMBL8776693

Cc1ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.60
MMP9 P14780 5/20 0.60
MMP13 P45452 5/20 0.60
MMP1 P03956 4/20 0.60
MMP3 P08254 4/20 0.60
MMP7 P09237 3/20 0.60
SLC1A2 P43004 2/20 0.57
SLC1A3 P43003 1/20 0.57
SLC1A1 P43005 1/20 0.57
CA9 Q16790 3/20 0.51
CA12 O43570 2/20 0.51
CA14 Q9ULX7 1/20 0.51
CA2 P00918 5/20 0.51
CA1 P00915 3/20 0.51
TDP1 Q9NUW8 1/20 0.50
CA7 P43166 1/20 0.49
MMP8 P22894 2/20 0.49
MMP14 P50281 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL12520517 1.00 MMP2 (0.60) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7354064 0.81 MMP9 (0.69) MMP2MMP9MMP13MMP1MMP3
SCHEMBL4588942 0.79 MMP9 (0.91) MMP2MMP9MMP13MMP1MMP3
SCHEMBL3964630 0.79 MMP9 (0.91) MMP2MMP9MMP13MMP1MMP3
SCHEMBL6446613 0.79 MMP9 (0.91) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7763645 0.79 MMP9 (0.55) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7348920 0.79 MMP9 (0.55) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7347207 0.79 MMP9 (0.55) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7354161 0.79 MMP13 (0.56) MMP2MMP9MMP13MMP1MMP3
SCHEMBL11810948 0.79 ALDH1A1 (0.50) MMP2MMP9MMP13MMP1MMP3

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-0808824-A2 Process for preparing optically active 2-halogeno-3-hydroxypropionic acid ester TANABE SEIYAKU CO., LTD. (JP) 1997-11-26 EP disclosed