SCHEMBL23219127

SCHEMBL23219127

CCOC(=O)Cc1ccccc1OCc1c(C)oc2c1cc(Br)c1oc(C)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.39
CFD P00746 2/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
APEX1 P27695 1/20 0.35
PKM P14618 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL29852603 1.00 TBXAS1 (0.39) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL28736126 0.89 DUSP3 (0.45) CFDDUSP3PTPN5PTPN11CTDSP1
SCHEMBL29591758 0.88 TBXAS1 (0.38) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL23219185 0.88 TBXAS1 (0.38) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL23219252 0.85 TBXAS1 (0.39) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL29592062 0.85 TBXAS1 (0.39) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL28736356 0.84 RAD52 (0.35) DUSP3PTPN5PTPN11CTDSP1APEX1
SCHEMBL23219184 0.83 CFD (0.49) CFDF11TPSB2
SCHEMBL29852669 0.83 CFD (0.49) CFDF11TPSB2
SCHEMBL28736330 0.80 TBXAS1 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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