SCHEMBL28339252

SCHEMBL28339252

CC(CC(=O)OS(=O)(=O)c1ccccc1)CC(C)(C)C.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
HSD11B1 P28845 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
ADAMTS4 O75173 1/20 0.33

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
SCHEMBL27561635 0.99 HSD11B1 (0.39) MMP1MMP2MMP3HSD11B1KMT2A
SCHEMBL28436625 0.85 HSD11B1 (0.40) MMP1MMP2MMP3HSD11B1KMT2A
SCHEMBL28348946 0.82 MMP1 (0.35) MMP1MMP2MMP3HSD11B1KMT2A
SCHEMBL3037681 0.81 KMT2A (0.46) HSD11B1KMT2AMEN1ALDH1A1GAA
SCHEMBL60869 0.77 L3MBTL1 (0.43) MMP1MMP2MMP3KMT2AMEN1
SCHEMBL28843832 0.75 HSD11B1 (0.42) HSD11B1ALDH1A1NPC1RECQLRAB9A
SCHEMBL6566817 0.75 L3MBTL1 (0.44) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL28371379 0.74 CYP1A2 (0.39) MMP1MMP2MMP3KMT2AMEN1
SCHEMBL27770238 0.73 SLC1A3 (0.37) HSD11B1KMT2AALDH1A1
SCHEMBL27791598 0.73 SLC1A3 (0.37) HSD11B1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110628528-B Preventing adhesion of bacteria 诺维信公司 2021-09-14 CN disclosed
CN-107858217-B Stabilized subtilisin compositions 诺维信公司 2021-03-23 CN disclosed
CN-110628528-A Preventing adhesion of bacteria 诺维信公司 2019-12-31 CN disclosed