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SCHEMBL27145367

SCHEMBL27145367

CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(C(CCC(=O)NCCNC(=O)NCCOCCOCCOCCC(=O)O)C(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.33
▸ TLR1 Q15399 2/20 0.33
▸ ALB P02768 1/20 0.33
▸ FOLH1 Q04609 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 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
SCHEMBL27145364 1.00 TLR2 (0.33) TLR2TLR1ALBFOLH1KDM4E
SCHEMBL27149493 0.96 TLR2 (0.34) TLR2TLR1ALBFOLH1KDM4E
SCHEMBL27150933 0.96 TLR2 (0.34) TLR2TLR1ALBFOLH1KDM4E
SCHEMBL27113413 0.96 TLR2 (0.34) TLR2TLR1ALBFOLH1KDM4E
SCHEMBL27150935 0.96 TLR2 (0.34) TLR2TLR1ALBFOLH1KDM4E
SCHEMBL27150014 0.94 ALB (0.38) TLR2TLR1ALBFOLH1KDM4E
SCHEMBL27150012 0.94 ALB (0.38) TLR2TLR1ALBFOLH1KDM4E
SCHEMBL30780047 0.93 TLR2 (0.33) TLR2TLR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL15775309 0.89 ALB (0.37) TLR2TLR1ALBFOLH1KDM4E
SCHEMBL22076667 0.88 CACNA1H (0.38) TLR2TLR1ALBKDM4EALDH1A1

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-2024044755-A2 EXTRACELLULAR HSP90 (EHSP90)-TARGETED RADIOPHARMACEUTICALS AND USE THEREOF Fusion Pharmaceuticals Inc. (CA) 2024-02-29 — — WO disclosed