SCHEMBL23217646

SCHEMBL23217646

NCCc1ccc(CC(=O)O)c(OCc2cc(-c3cccc(CN)c3)c3occc3c2)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFD P00746 17/20 0.71
F11 P03951 3/20 0.52
PLAU P00749 2/20 0.52
KLKB1 P03952 2/20 0.52
TPSB2 P20231 2/20 0.52
PLG P00747 1/20 0.52
F7 P08709 1/20 0.52
PTGER1 P34995 2/20 0.42
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 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
SCHEMBL33524145 0.95 CFD (0.78) CFDF11PLAUKLKB1TPSB2
SCHEMBL21438979 0.95 CFD (0.78) CFDF11PLAUKLKB1TPSB2
SCHEMBL23217630 0.94 CFD (0.73) CFDF11PLAUKLKB1TPSB2
SCHEMBL33524150 0.93 CFD (0.69) CFDF11PLAUKLKB1TPSB2
SCHEMBL21438242 0.93 CFD (0.69) CFDF11PLAUKLKB1TPSB2
SCHEMBL21438040 0.92 CFD (0.75) CFDF11PLAUKLKB1TPSB2
SCHEMBL21437745 0.91 CFD (0.71) CFDF11PLAUKLKB1TPSB2
SCHEMBL21438225 0.91 CFD (0.74) CFDF11PLAUKLKB1TPSB2
SCHEMBL21437707 0.90 CFD (0.78) CFDF11PLAUKLKB1TPSB2
SCHEMBL21437779 0.89 CFD (0.72) CFDF11PLAUKLKB1TPSB2

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