SCHEMBL23219185

SCHEMBL23219185

CCOC(=O)Cc1ccccc1OCc1c(C)oc2c1cc(Br)c1occc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.38
CFD P00746 8/20 0.37
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
APEX1 P27695 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL29591758 1.00 TBXAS1 (0.38) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL28939579 0.90 DUSP3 (0.44) CFDDUSP3PTPN5PTPN11CTDSP1
SCHEMBL29852603 0.88 TBXAS1 (0.39) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL23219127 0.88 TBXAS1 (0.39) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL21438554 0.86 TBXAS1 (0.40) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL21437621 0.85 DUSP3 (0.43) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL23219118 0.85 TBXAS1 (0.39) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL29591859 0.85 TBXAS1 (0.39) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL23217527 0.85 DUSP3 (0.41) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL30010285 0.85 DUSP3 (0.41) 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 3 patents. 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
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