SCHEMBL8286273

SCHEMBL8286273

CS(=O)OCC1(c2ccccc2)CC1(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.34
ATM Q13315 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
BCHE P06276 1/20 0.32
TSHR P16473 2/20 0.31
ALOX15 P16050 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.31
GHSR Q92847 1/20 0.31

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
SCHEMBL2765398 0.84 CA12 (0.37) AKT1ATMCA12CA1CA7
SCHEMBL2765396 0.84 CA12 (0.37) AKT1ATMCA12CA1CA7
SCHEMBL5945592 0.84 CA12 (0.37) AKT1ATMCA12CA1CA7
SCHEMBL6058378 0.84 CA12 (0.37) AKT1ATMCA12CA1CA7
SCHEMBL2765670 0.84 CA12 (0.37) AKT1ATMCA12CA1CA7
SCHEMBL8284456 0.83 CA12 (0.38) AKT1ATMCA12CA1CA7
SCHEMBL6371059 0.80 CA12 (0.39) AKT1ATMCA12CA1CA7
SCHEMBL6371054 0.80 CA12 (0.39) AKT1ATMCA12CA1CA7
SCHEMBL13991402 0.77 AKT1 (0.34) AKT1ATMCA12CA1CA7
SCHEMBL8284455 0.76 CD274 (0.39) DPP8DPP9KMT2AMEN1NPC1

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-2005058808-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 WO disclosed