SCHEMBL23219064

SCHEMBL23219064

CC(C)(C)OC(=O)Cc1ccccc1OCc1coc2c1cc(Br)c1ccoc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
CFD P00746 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
CTDSP1 Q9GZU7 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
SCHEMBL29592731 1.00 MTNR1A (0.38) MTNR1AMTNR1BCFDL3MBTL1ALDH1A1
SCHEMBL28736137 0.86 CFD (0.47) CFDL3MBTL1ALDH1A1DUSP3PTPN5
SCHEMBL29852707 0.81 CFD (0.47) MTNR1AMTNR1BCFD
SCHEMBL23218462 0.81 CFD (0.47) MTNR1AMTNR1BCFD
SCHEMBL29591859 0.81 TBXAS1 (0.39) CFDALDH1A1DUSP3PTPN5PTPN11
SCHEMBL23219118 0.81 TBXAS1 (0.39) CFDALDH1A1DUSP3PTPN5PTPN11
SCHEMBL23219189 0.79 MTNR1A (0.34) MTNR1AMTNR1BCFDL3MBTL1
SCHEMBL29853043 0.79 MTNR1A (0.34) MTNR1AMTNR1BCFDL3MBTL1
SCHEMBL28736277 0.79 CFD (0.46) CFDALDH1A1DUSP3PTPN5PTPN11
SCHEMBL23241696 0.76 L3MBTL1 (0.37) CFDL3MBTL1ALDH1A1DUSP3PTPN5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed