SCHEMBL29592602

SCHEMBL29592602

CCOC(=O)Cc1ccccc1OCc1c(C(=O)OC(C)(C)C)oc2c(-c3cnn(C)c3)cc(-c3cccc(CN)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFD P00746 10/20 0.46
F11 P03951 3/20 0.39
TPSB2 P20231 2/20 0.39
PLAU P00749 2/20 0.39
KLKB1 P03952 2/20 0.39
PLG P00747 1/20 0.39
F7 P08709 1/20 0.39
MAP3K7 O43318 1/20 0.34
TAB1 Q15750 1/20 0.34
TBXAS1 P24557 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IRAK1 P51617 2/20 0.32
MPO P05164 1/20 0.31
SYK P43405 1/20 0.31
F2RL3 Q96RI0 1/20 0.31

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
SCHEMBL29852507 1.00 CFD (0.46) CFDF11TPSB2PLAUKLKB1
SCHEMBL23218209 1.00 CFD (0.46) CFDF11TPSB2PLAUKLKB1
SCHEMBL29853113 0.91 CFD (0.47) CFDF11TPSB2PLAUKLKB1
SCHEMBL23218969 0.91 CFD (0.47) CFDF11TPSB2PLAUKLKB1
SCHEMBL29592635 0.91 CFD (0.47) CFDF11TPSB2PLAUKLKB1
SCHEMBL23219197 0.87 TBXAS1 (0.37) CFDTBXAS1L3MBTL1SYK
SCHEMBL29852344 0.87 TBXAS1 (0.37) CFDTBXAS1L3MBTL1SYK
SCHEMBL23219213 0.86 CFD (0.47) CFDF11TPSB2PLAUKLKB1
SCHEMBL29591255 0.86 CFD (0.47) CFDF11TPSB2PLAUKLKB1
SCHEMBL23218210 0.86 CFD (0.44) CFDF11TPSB2PLAUKLKB1

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
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed