SCHEMBL29947386

SCHEMBL29947386

CC(C)(C)OC(=O)OCOC(=O)n1ccc2c(B3OC(C)(C)C(C)(C)O3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
AKT1 P31749 1/20 0.33
BUB1 O43683 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
NOTUM Q6P988 1/20 0.30
ACHE P22303 1/20 0.30
USP30 Q70CQ3 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
SCHEMBL715654 0.88 BRD4 (0.39) L3MBTL1PRMT5WDR77AKT1BUB1
SCHEMBL30606423 0.88 BRD4 (0.39) L3MBTL1PRMT5WDR77AKT1BUB1
SCHEMBL1720935 0.81 P2RX4 (0.35) NOTUM
SCHEMBL2574877 0.76 NOTUM (0.39) NOTUM
SCHEMBL21624141 0.76 NOTUM (0.52) CREBBPNOTUM
SCHEMBL20798845 0.75 BRD4 (0.38) L3MBTL1AKT1BUB1BRD4CREBBP
SCHEMBL23344114 0.75 LMNA (0.43) NOTUM
SCHEMBL29698752 0.74 L3MBTL1 (0.49) L3MBTL1BUB1BRD4CREBBPACHE
SCHEMBL1054068 0.74 L3MBTL1 (0.49) L3MBTL1BUB1BRD4CREBBPACHE
SCHEMBL23344126 0.73 PRMT5 (0.42) PRMT5WDR77AAK1

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-115135659-A Morpholine derivatives and preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-09-30 CN disclosed