SCHEMBL29023461

SCHEMBL29023461

COC(=O)C(C(=O)OC)=C1CCCN1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
OR51E2 Q9H255 1/20 0.33
GAA P10253 1/20 0.32
CHRM3 P20309 1/20 0.31
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL22511454 0.79 POLB (0.37) MEN1MAPTTSHRMAPK1KMT2A
SCHEMBL20053987 0.78 MAPT (0.32) MEN1MAPTTSHRMAPK1KMT2A
SCHEMBL12987161 0.77 MAPT (0.54) MEN1MAPTTSHRMAPK1KMT2A
SCHEMBL12987167 0.77 MAPT (0.54) MEN1MAPTTSHRMAPK1KMT2A
SCHEMBL12987162 0.77 MAPT (0.54) MEN1MAPTTSHRMAPK1KMT2A
SCHEMBL7995514 0.75 NPC1 (0.53) MEN1MAPTTSHRMAPK1KMT2A
SCHEMBL7995512 0.75 NPC1 (0.53) MEN1MAPTTSHRMAPK1KMT2A
SCHEMBL28826687 0.74 OR51E2 (0.33) MEN1MAPTTSHRMAPK1KMT2A
SCHEMBL4434068 0.72 RAB9A (0.54) MEN1MAPTTSHRMAPK1KMT2A
SCHEMBL4434071 0.72 RAB9A (0.54) MEN1MAPTTSHRMAPK1KMT2A

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-116134035-A 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors 詹森药业有限公司 2023-05-16 CN disclosed