SCHEMBL23219147

SCHEMBL23219147

NCc1cccc(-c2ccc3oc(C(O)C(F)(F)F)c(COc4ccccc4CC(=O)O)c3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFD P00746 18/20 0.60
F11 P03951 11/20 0.60
TPSB2 P20231 10/20 0.60
KLKB1 P03952 2/20 0.60
PLAU P00749 2/20 0.60
PLG P00747 1/20 0.60
F7 P08709 1/20 0.60
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40

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
SCHEMBL29852419 1.00 CFD (0.60) CFDF11TPSB2KLKB1PLAU
SCHEMBL23218186 0.90 CFD (0.64) CFDF11TPSB2KLKB1PLAU
SCHEMBL29853177 0.90 CFD (0.64) CFDF11TPSB2KLKB1PLAU
SCHEMBL29852661 0.90 CFD (0.48) CFDF11TPSB2KLKB1PLAU
SCHEMBL23218156 0.90 CFD (0.48) CFDF11TPSB2KLKB1PLAU
SCHEMBL23218902 0.89 CFD (0.46) CFDF11TPSB2KLKB1PLAU
SCHEMBL29592040 0.89 CFD (0.46) CFDF11TPSB2KLKB1PLAU
SCHEMBL23218075 0.89 CFD (0.63) CFDF11TPSB2KLKB1PLAU
SCHEMBL29852909 0.89 CFD (0.63) CFDF11TPSB2KLKB1PLAU
SCHEMBL23229309 0.88 CFD (0.43) CFDF11TPSB2KLKB1PLAU

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