SCHEMBL23218671

SCHEMBL23218671

CCOC(=O)Cc1ccc(OC)cc1OCc1c(C(C)O)oc2ccc(-c3cccc(CN)c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 4/20 0.41
PLG P00747 2/20 0.38
PLAU P00749 2/20 0.38
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38
F7 P08709 1/20 0.38
TPSB2 P20231 1/20 0.38
ANO1 Q5XXA6 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
PTGER4 P35408 1/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
DPP4 P27487 2/20 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
SCHEMBL29852578 1.00 CFD (0.41) CFDPLGPLAUF11KLKB1
SCHEMBL23218528 0.95 CFD (0.42) CFDPLGPLAUF11KLKB1
SCHEMBL29852512 0.95 CFD (0.42) CFDPLGPLAUF11KLKB1
SCHEMBL29852539 0.92 CFD (0.41) CFDPLGPLAUF11KLKB1
SCHEMBL23218602 0.92 CFD (0.41) CFDPLGPLAUF11KLKB1
SCHEMBL23218737 0.91 CFD (0.39) CFDPLGPLAUF11KLKB1
SCHEMBL29852956 0.91 CFD (0.39) CFDPLGPLAUF11KLKB1
SCHEMBL23218533 0.91 CFD (0.43) CFDPLGPLAUF11KLKB1
SCHEMBL23218674 0.91 CFD (0.48) CFDPLGPLAUF11KLKB1
SCHEMBL29852791 0.91 CFD (0.43) CFDPLGPLAUF11KLKB1

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