SCHEMBL23219215

SCHEMBL23219215

COc1ccc(CC(=O)O)c(OCc2c(C)oc3ccc(-c4cccc([C@H](N)CO)c4)cc23)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFD P00746 8/20 0.52
TPSB2 P20231 8/20 0.52
F11 P03951 7/20 0.52
PTGER4 P35408 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSA P10619 2/20 0.38
CD274 Q9NZQ7 2/20 0.37
PDCD1 Q15116 1/20 0.37
ANO1 Q5XXA6 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL29592323 1.00 CFD (0.52) CFDTPSB2F11PTGER4MEN1
SCHEMBL23218060 1.00 CFD (0.52) CFDTPSB2F11PTGER4MEN1
SCHEMBL23229010 0.92 CFD (0.52) CFDTPSB2F11PTGER4MEN1
SCHEMBL29592750 0.92 CFD (0.52) CFDTPSB2F11PTGER4MEN1
SCHEMBL23218377 0.92 CFD (0.52) CFDTPSB2F11PTGER4MEN1
SCHEMBL23218163 0.92 CFD (0.52) CFDTPSB2F11PTGER4MEN1
SCHEMBL23228993 0.91 CFD (0.43) CFDTPSB2F11PTGER4MEN1
SCHEMBL23218068 0.86 CFD (0.51) CFDTPSB2F11PTGER4ANO1
SCHEMBL29591349 0.86 CFD (0.51) CFDTPSB2F11PTGER4ANO1
SCHEMBL23218061 0.85 PTGER4 (0.43) CFDTPSB2F11PTGER4ANO1

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