SCHEMBL29280568

SCHEMBL29280568

CC(C)(C)OC(=O)NC1(OC=O)COC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
CTSK P43235 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
APLNR P35414 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK10 P53779 1/20 0.31
MIF P14174 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
NPC1 O15118 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL570580 0.85 CTSK (0.36) GAACTSKMEN1KMT2AMAPK1
SCHEMBL571145 0.82 CTSK (0.35) GAACTSKMEN1KMT2AMAPK1
SCHEMBL2500185 0.82 CTSK (0.35) GAACTSKMEN1KMT2AMAPK1
SCHEMBL20338584 0.81 P2RX7 (0.35) GAACTSKMEN1KMT2AMAPK1
SCHEMBL2496562 0.81 P2RX7 (0.35) GAACTSKMEN1KMT2AMAPK1
SCHEMBL20338609 0.81 P2RX7 (0.35) GAACTSKMEN1KMT2AMAPK1
SCHEMBL23007977 0.80 GAA (0.39) GAACTSKMEN1KMT2AMAPK1
SCHEMBL25645220 0.79 APLNR (0.36) GAACTSKMEN1KMT2AMAPK1
SCHEMBL28607231 0.77 CTSK (0.35) GAACTSKMEN1KMT2AMAPK1
SCHEMBL24884855 0.73 GAA (0.39) GAACTSKMEN1KMT2AMAPK1

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-113767103-B Novel spirocyclic K-Ras G12C inhibitors 微境生物医药科技(上海)有限公司 2024-03-29 CN disclosed