SCHEMBL8890249

SCHEMBL8890249

CC[C@H](C)NC(=O)NS(=O)(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.37
EPHX2 P34913 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL8890921 0.79 CA12 (0.45) EPHX1MMP1MMP2MMP3CA12
SCHEMBL1276559 0.75 MMP1 (0.56) EPHX1MMP1MMP2MMP3CA12
SCHEMBL8916758 0.69
SCHEMBL12487398 0.69
SCHEMBL8369048 0.69
SCHEMBL606969 0.69
SCHEMBL22571801 0.69
SCHEMBL22146086 0.69
SCHEMBL20034129 0.69 ALDH1A1 (0.55) EPHX1MMP1MMP2MMP3CA12
SCHEMBL11674508 0.68 MMP1 (0.46) EPHX1MMP1MMP2MMP3CA12

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-1997005126-A1 MUPIROCINSULFAMATES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-02-13 WO disclosed