SCHEMBL9428692

SCHEMBL9428692

COC(=O)C1C[C@@H](OS(C)(=O)=O)CN1C(=O)OCc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.50
ANPEP P15144 1/20 0.50
MMP1 P03956 3/20 0.42
MMP3 P08254 3/20 0.42
MMP7 P09237 3/20 0.42
MMP9 P14780 3/20 0.42
MMP13 P45452 2/20 0.42
CYP3A4 P08684 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP8 P22894 1/20 0.39
GRIN2B Q13224 1/20 0.39
ALDH1A1 P00352 3/20 0.39
P2RX4 Q99571 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7805540 1.00 MMP2 (0.50) MMP2ANPEPMMP1MMP3MMP7
SCHEMBL15399060 0.89 MMP2 (0.49) MMP2ANPEPMMP1MMP3MMP7
SCHEMBL2317032 0.89 MMP2 (0.49) MMP2ANPEPMMP1MMP3MMP7
SCHEMBL8830987 0.89 MMP2 (0.49) MMP2ANPEPMMP1MMP3MMP7
SCHEMBL7734259 0.89 MMP2 (0.49) MMP2ANPEPMMP1MMP3MMP7
SCHEMBL7807884 0.86 MMP2 (0.45) MMP2ANPEPHTTSMN1; SMN2ALDH1A1
SCHEMBL10390625 0.85 POLB (0.51) MMP2ANPEPMMP1MMP3MMP7
SCHEMBL7807916 0.85 POLB (0.51) MMP2ANPEPMMP1MMP3MMP7
SCHEMBL7811567 0.84 PKM (0.39) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7020805 0.82 ALDH1A1 (0.48) MMP2MMP1MMP3MMP7MMP9

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
US-5317016-A Pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-05-31 US disclosed