SCHEMBL13744302

SCHEMBL13744302

CC(C)(C)OC(=O)N[C@](C)(I)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
CTSS P25774 5/20 0.37
CTSK P43235 5/20 0.37
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DGAT1 O75907 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
BTK Q06187 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
AKT1 P31749 1/20 0.34
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
APLNR P35414 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
SCHEMBL22045503 1.00 MEN1 (0.38) MEN1GAAKMT2ACTSSCTSK
SCHEMBL76832 0.77 KDM4C (0.41) MEN1GAAKMT2ACTSSCTSK
SCHEMBL25229366 0.77 MEN1 (0.44) MEN1GAAKMT2ACTSSCTSK
SCHEMBL2512445 0.77 MEN1 (0.40) MEN1GAAKMT2ACTSSCTSK
SCHEMBL19373021 0.76 DGAT1 (0.35) MEN1GAAKMT2ATDP1DGAT1
SCHEMBL25811478 0.76 CTSK (0.41) MEN1GAAKMT2ACTSSCTSK
SCHEMBL21834933 0.76 KDM4C (0.39) MEN1GAAKMT2ACTSSCTSK
SCHEMBL8144616 0.76 MEN1 (0.39) MEN1GAAKMT2ACTSSCTSK
SCHEMBL16296168 0.76 KDM4C (0.39) MEN1GAAKMT2ACTSSCTSK
SCHEMBL22577405 0.74 MEN1 (0.38) MEN1GAAKMT2ACTSSCTSK

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-2009098901-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 WO disclosed