SCHEMBL28670731

SCHEMBL28670731

C=C[C@H]1C[C@@]1(COC(N)=O)NC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
HCRTR2 O43614 1/20 0.32
EPHX2 P34913 1/20 0.32
CACNA1H O95180 1/20 0.32
ALOX15 P16050 1/20 0.32
CTNNB1 P35222 1/20 0.32
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
HSD11B1 P28845 3/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL28687680 1.00 MEN1 (0.34) MEN1KMT2AMAPK1HCRTR2EPHX2
SCHEMBL28747502 0.83 KMT2A (0.35) MEN1KMT2AMAPK1EPHX2CACNA1H
SCHEMBL15218631 0.82 KMT2A (0.38) MEN1KMT2AMAPK1CACNA1HDPP8
SCHEMBL3312164 0.82 MEN1 (0.38) MEN1KMT2AMAPK1HCRTR2EPHX2
SCHEMBL22482737 0.82 MEN1 (0.38) MEN1KMT2AMAPK1HCRTR2EPHX2
SCHEMBL29675255 0.82 MEN1 (0.38) MEN1KMT2AMAPK1HCRTR2EPHX2
SCHEMBL13330960 0.82 MEN1 (0.38) MEN1KMT2AMAPK1HCRTR2EPHX2
SCHEMBL3054113 0.74 MEN1 (0.38) MEN1KMT2AMAPK1EPHX2CACNA1H
SCHEMBL25281434 0.74 MEN1 (0.32) MEN1KMT2AMAPK1
SCHEMBL22469824 0.74 MEN1 (0.32) MEN1KMT2AMAPK1

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-113874079-A Bridged tricyclic carbamoylpyridone compounds and pharmaceutical use thereof 吉利德科学公司 2021-12-31 CN disclosed