SCHEMBL30765813

SCHEMBL30765813

COC(=O)Cn1c(-c2ccc(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OCc3ccccc3)cc2)ncc(NC(=O)c2cnc(-c3ccccc3)s2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.42
CASP1 P29466 1/20 0.40
BCHE P06276 1/20 0.38
KLK7 P49862 2/20 0.36
KLK5 Q9Y337 2/20 0.36
WNT3A P56704 2/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL30765831 0.93 CASP1 (0.40) ELANECASP1WNT3ACYP3A4
SCHEMBL30765546 0.92 CASP1 (0.40) ELANECASP1BCHEWNT3ACYP3A4
SCHEMBL30765555 0.88 CASP1 (0.42) ELANECASP1WNT3ACYP3A4
SCHEMBL30765738 0.85 CASP1 (0.42) ELANECASP1BCHEWNT3ACYP3A4
SCHEMBL30765956 0.84 CASP1 (0.41) ELANECASP1WNT3A
SCHEMBL30765726 0.83 BCHE (0.44) ELANEBCHE
SCHEMBL30765664 0.80 BCHE (0.44) ELANEBCHEKLK7KLK5
SCHEMBL30765765 0.79 CASP1 (0.43) ELANECASP1WNT3A
SCHEMBL30766052 0.78 KLK7 (0.42) ELANEBCHEKLK7KLK5
SCHEMBL30765638 0.78 GAA (0.41) ELANEBCHEKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed