SCHEMBL29378976

SCHEMBL29378976

CC(C)(C)OC(=O)n1cc(CO)c2ccc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
HTR6 P50406 1/20 0.46
EPHX1 P07099 1/20 0.42
PDE10A Q9Y233 1/20 0.39
ADAM17 P78536 1/20 0.36
USP30 Q70CQ3 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
BACE1 P56817 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIM1 P11309 1/20 0.34
MARK3 P27448 1/20 0.34

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
SCHEMBL2013725 1.00 L3MBTL1 (0.51) L3MBTL1HTR6EPHX1PDE10AADAM17
SCHEMBL26672944 0.90 HTR6 (0.50) L3MBTL1HTR6EPHX1PDE10AADAM17
SCHEMBL23218891 0.90 HTR6 (0.55) L3MBTL1HTR6EPHX1PDE10ACCNB2
SCHEMBL29591721 0.90 HTR6 (0.55) L3MBTL1HTR6EPHX1PDE10ACCNB2
SCHEMBL16727042 0.89 L3MBTL1 (0.47) L3MBTL1HTR6EPHX1PDE10AADAM17
SCHEMBL22919485 0.86 L3MBTL1 (0.55) L3MBTL1HTR6EPHX1PDE10AADAM17
SCHEMBL29352824 0.85 L3MBTL1 (0.45) L3MBTL1HTR6EPHX1PDE10AADAM17
SCHEMBL29077852 0.85 HTR6 (0.48) L3MBTL1HTR6EPHX1PDE10AADAM17
SCHEMBL15777230 0.85 L3MBTL1 (0.45) L3MBTL1HTR6EPHX1PDE10AADAM17
SCHEMBL26683954 0.85 L3MBTL1 (0.56) L3MBTL1HTR6EPHX1PDE10AADAM17

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
EP-3947352-A1 COMPLEMENT MODULATORS AND RELATED METHODS RA Pharmaceuticals, Inc. (US) 2022-02-09 EP disclosed