SCHEMBL28736330

SCHEMBL28736330

CCOC(=O)Cc1ccccc1OCc1c(CC)oc2c(Br)cc(Br)cc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.39
CFD P00746 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
SLC26A3 P40879 5/20 0.36
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL23218330 0.85 TBXAS1 (0.40) TBXAS1CFDPKMKMT2AALOX5
SCHEMBL23219127 0.80 TBXAS1 (0.39) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL29852603 0.80 TBXAS1 (0.39) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL29853252 0.79 TBXAS1 (0.43) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL23218663 0.79 TBXAS1 (0.43) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL23218810 0.79 TBXAS1 (0.39) TBXAS1CFDPKMKDM4EALDH1A1
SCHEMBL29853270 0.79 TBXAS1 (0.39) TBXAS1CFDPKMKDM4EALDH1A1
SCHEMBL29591417 0.79 TBXAS1 (0.39) TBXAS1CFDPKMKDM4EALDH1A1
SCHEMBL29592779 0.79 TBXAS1 (0.38) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL28736169 0.79 TBXAS1 (0.38) TBXAS1CFDDUSP3PTPN5PTPN11

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-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed