SCHEMBL23217848

SCHEMBL23217848

NCCc1cc(-c2cc(COc3ccccc3CC(=O)O)cc3ccoc23)cs1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFD P00746 17/20 0.71
F11 P03951 5/20 0.48
TPSB2 P20231 5/20 0.48
KLKB1 P03952 2/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
F7 P08709 1/20 0.48
PTGER1 P34995 3/20 0.42
PTGER4 P35408 3/20 0.42
PTGER3 P43115 3/20 0.42
PTGER2 P43116 3/20 0.42

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
SCHEMBL23217525 0.97 CFD (0.69) CFDF11TPSB2KLKB1PLG
SCHEMBL21438828 0.93 CFD (0.77) CFDF11TPSB2KLKB1PLG
SCHEMBL23217670 0.89 CFD (0.57) CFDF11TPSB2KLKB1PLG
SCHEMBL29672955 0.87 CFD (0.73) CFDF11TPSB2KLKB1PLG
SCHEMBL23217639 0.87 CFD (0.73) CFDF11TPSB2KLKB1PLG
SCHEMBL21437707 0.86 CFD (0.78) CFDF11TPSB2KLKB1PLG
SCHEMBL23217605 0.86 CFD (0.55) CFDF11TPSB2KLKB1PLG
SCHEMBL23217597 0.85 CFD (0.75) CFDF11TPSB2KLKB1PLG
SCHEMBL23217847 0.84 CFD (0.67) CFDF11TPSB2KLKB1PLG
SCHEMBL23217514 0.84 CFD (0.64) CFDF11TPSB2KLKB1PLG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed