SCHEMBL23217847

SCHEMBL23217847

CC(N)c1cc(-c2cc(COc3ccccc3CC(=O)O)cc3ccoc23)cs1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFD P00746 19/20 0.67
TPSB2 P20231 9/20 0.51
F11 P03951 9/20 0.51
PLG P00747 2/20 0.44
PLAU P00749 2/20 0.44
KLKB1 P03952 2/20 0.44
F7 P08709 2/20 0.44
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
F2 P00734 1/20 0.41
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
PLAT P00750 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC18A2 Q05940 1/20 0.41
PDE4D Q08499 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL29672984 1.00 CFD (0.67) CFDTPSB2F11PLGPLAU
SCHEMBL29672975 0.92 CFD (0.66) CFDTPSB2F11PLGPLAU
SCHEMBL23217524 0.92 CFD (0.66) CFDTPSB2F11PLGPLAU
Hydrochloric Acid SCHEMBL31026073 0.91 CFD (0.65) CFDTPSB2F11PLGPLAU
SCHEMBL30010372 0.90 CFD (0.55) CFDTPSB2F11PLGPLAU
SCHEMBL23217669 0.90 CFD (0.55) CFDTPSB2F11PLGPLAU
SCHEMBL21438828 0.86 CFD (0.77) CFDTPSB2F11PLGPLAU
SCHEMBL23217639 0.85 CFD (0.73) CFDTPSB2F11PLGPLAU
SCHEMBL21437705 0.85 CFD (0.75) CFDTPSB2F11PLGPLAU
SCHEMBL21455105 0.85 CFD (0.75) CFDTPSB2F11PLGPLAU

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-114555570-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-27 CN disclosed
WO-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed