SCHEMBL2860412

SCHEMBL2860412

CC(C)(C)OC(=O)NCC(CNC(=O)O)OS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SYK P43405 1/20 0.40
SERPINE1 P05121 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA12 O43570 5/20 0.35
CA14 Q9ULX7 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 1/20 0.34
MALT1 Q9UDY8 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
SCHEMBL569003 0.94 SERPINE1 (0.43) MEN1GAAKMT2ASYKSERPINE1
SCHEMBL25189025 0.86 SYK (0.43) MEN1GAAKMT2ASYKSERPINE1
SCHEMBL10029064 0.86 SYK (0.43) MEN1GAAKMT2ASYKSERPINE1
SCHEMBL18361449 0.86 SYK (0.43) MEN1GAAKMT2ASYKSERPINE1
SCHEMBL15876421 0.85 SERPINE1 (0.40) MEN1GAAKMT2ASYKSERPINE1
SCHEMBL10197290 0.85 SERPINE1 (0.40) MEN1GAAKMT2ASYKSERPINE1
SCHEMBL26774025 0.85 SERPINE1 (0.40) MEN1GAAKMT2ASYKSERPINE1
SCHEMBL23674564 0.84 SERPINE1 (0.41) MEN1GAAKMT2ASYKSERPINE1
SCHEMBL14726004 0.84 TDP1 (0.43) MEN1GAAKMT2ASYKSERPINE1
SCHEMBL23792183 0.82 SERPINE1 (0.38) MEN1GAAKMT2ASYKSERPINE1

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
EP-2155775-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Mpex Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
WO-2008141010-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-11-20 WO disclosed