SCHEMBL8890921

SCHEMBL8890921

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
EPHX1 P07099 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.41
EPHX2 P34913 2/20 0.38
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL1276559 0.79 MMP1 (0.56) CA12CA1CA2CA9EPHX1
SCHEMBL8890249 0.79 EPHX1 (0.45) CA12CA1CA2CA9EPHX1
SCHEMBL22146086 0.73
SCHEMBL22571801 0.73
SCHEMBL20034129 0.73 ALDH1A1 (0.55) CA12CA1CA2CA9EPHX1
SCHEMBL606969 0.73
SCHEMBL23917496 0.71
SCHEMBL606968 0.71
SCHEMBL966610 0.71 EPHX2 (0.49) CA12CA1CA2CA9EPHX1
SCHEMBL23467914 0.71 GAA (0.69) CA12CA1CA2CA9KMT2A

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