SCHEMBL21291526

SCHEMBL21291526

CC(=O)OCC(C)C1=C(O)C(=O)C2=C(C1=O)C(OC(C)=O)C[C@H]1C(C)(C)CCC[C@]21C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 6/20 0.34
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ EPAS1 Q99814 1/20 0.32
▸ GGPS1 O95749 2/20 0.31
▸ CYP19A1 P11511 4/20 0.31
▸ EP300 Q09472 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ATM Q13315 2/20 0.30

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
SCHEMBL22861865 1.00 FDPS (0.34) FDPSNFKB1NFKB2RELAEPAS1
SCHEMBL22861892 0.88 FDPS (0.39) FDPSNFKB1NFKB2RELAEPAS1
SCHEMBL22861862 0.81 EP300 (0.31) EP300
SCHEMBL22861861 0.81 EP300 (0.31) EP300
SCHEMBL22862020 0.80 EP300 (0.32) EP300
SCHEMBL22862021 0.80 EP300 (0.32) EP300
SCHEMBL22861873 0.77 FDPS (0.30) FDPSEP300
SCHEMBL22861874 0.77 FDPS (0.30) FDPSEP300
Horminone SCHEMBL22861891 0.71 CYP19A1 (0.45) FDPSGGPS1CYP19A1EP300TP53
Horminone SCHEMBL22861860 0.71 CYP19A1 (0.45) FDPSGGPS1CYP19A1EP300TP53

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-2019158359-A1 COMPOUNDS THAT MODULATE VON WILLEBRAND FACTOR LEVELS AND THEIR USE IN THE TREATMENT OF BLOOD DISORDERS SOCIETE DES PRODUITS NESTLE S.A. (CH) 2019-08-22 — — WO disclosed
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