SCHEMBL28811650

SCHEMBL28811650

CC(C)(NC(=O)OS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
F2 P00734 3/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC10A6 Q3KNW5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL28107383 0.88 CA1 (0.51) THRBCA1CA2MMP1MMP2
SCHEMBL30517409 0.78 CA1 (0.60) THRBCA1CA2MMP1MMP2
SCHEMBL14675926 0.78 CA1 (0.60) THRBCA1CA2MMP1MMP2
SCHEMBL28592429 0.76 F2 (0.56) THRBCA1CA2MMP1MMP2
SCHEMBL28811181 0.72 MEN1 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL28210786 0.72 KMT2A (0.51) THRBCA1CA2MMP1MMP2
SCHEMBL1317710 0.72 KMT2A (0.63) THRBCA1CA2MMP1MMP2
SCHEMBL29508624 0.72 KMT2A (0.63) THRBCA1CA2MMP1MMP2
SCHEMBL28446977 0.72 ALDH1A1 (0.63) KMT2AMEN1TDP1SMN1; SMN2L3MBTL1
SCHEMBL999377 0.71 KMT2A (0.68) THRBCA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103857655-B Compounds for inhibiting 11 beta-hydroxysteroid dehydrogenase 1 and pharmaceutical compositions comprising the same HYUNDAI PHARM Co.,Ltd. (KR) 2016-03-30 CN disclosed
CN-103857655-A Compounds for inhibiting 11 beta-hydroxysteroid dehydrogenase 1 and pharmaceutical compositions comprising the same HYUNDAI PHARM CO LTD 2014-06-11 CN disclosed