SCHEMBL28036860

SCHEMBL28036860

CC(C)(C)OC(=O)N1Cc2[nH]ncc2[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.42
PSEN2 P49810 5/20 0.42
APH1B Q8WW43 5/20 0.42
NCSTN Q92542 5/20 0.42
APH1A Q96BI3 5/20 0.42
PSENEN Q9NZ42 5/20 0.42
NR1H2 P55055 1/20 0.42
NAMPT P43490 1/20 0.38
ACACB O00763 3/20 0.36
HSD17B10 Q99714 1/20 0.36
UCHL1 P09936 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP30 Q70CQ3 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL28823116 1.00 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28037309 0.89 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28037315 0.89 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28037316 0.86 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25383068 0.75 HSD17B10 (0.34) NR1H2HSD17B10MEN1KMT2A
SCHEMBL4598829 0.74 ELANE (0.36) NR1H2HSD17B10UCHL1MEN1KMT2A
SCHEMBL34469198 0.74 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29475098 0.74 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5108774 0.74 ELANE (0.36) NR1H2HSD17B10UCHL1MEN1KMT2A
SCHEMBL4138452 0.74 NR1H2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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
CN-105037367-A Amino six-membered ring derivative and application thereof in medicines SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-11-11 CN disclosed