SCHEMBL29236532

SCHEMBL29236532

NC(=O)Oc1cc(C2=CCOCC2)c(Cl)cc1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 4/20 0.35
▸ GCK P35557 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ SUV39H2 Q9H5I1 2/20 0.31
▸ FABP7 O15540 2/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ FABP3 P05413 1/20 0.30
▸ FABP5 Q01469 1/20 0.30
▸ AAK1 Q2M2I8 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
SCHEMBL29236525 0.76 PIK3CA (0.34) IDH2SUV39H2PIK3CDPIK3CAPIK3CB
SCHEMBL23132942 0.70 GAA (0.46) GCKMAPTSUV39H2PIK3CDPIK3CA
SCHEMBL29236507 0.70 IDH2 (0.33) IDH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL27621218 0.68 GAA (0.42) TSHR
SCHEMBL25295762 0.67 CYP1A2 (0.36) CYP11B2
SCHEMBL26090166 0.67 CD44 (0.35) MAPTTSHR
SCHEMBL29236517 0.67 IDO1 (0.33) MAPT
SCHEMBL29177226 0.64 SMN1; SMN2 (0.35) MAPTCYP11B2
SCHEMBL28105760 0.64 L3MBTL1 (0.34) —
SCHEMBL9882583 0.64 MAPK14 (0.34) PIM1PIM2SUV39H2PIK3CDPIK3CA

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-118184639-A GSPT1 degradation agent and application thereof 南京圣和药业股份有限公司 2024-06-14 — — CN disclosed
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