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SCHEMBL6165076

SCHEMBL6165076

CC(C)c1nc(CCOC(=O)OCCc2nc(C(C)C)c(Sc3cc(Cl)cc(Cl)c3)n2C)n(C)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 4/20 0.32
▸ TRAP1 Q12931 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ MAOB P27338 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
SCHEMBL6165079 0.92 HSP90B1 (0.32) HSP90B1TRAP1HSP90AA1HSP90AB1MAOB
SCHEMBL6967111 0.91 HSP90B1 (0.31) HSP90B1TRAP1HSP90AA1HSP90AB1
SCHEMBL6162100 0.85 DGKA (0.39) —
SCHEMBL6964428 0.85 TLR8 (0.33) HSP90B1TRAP1HSP90AA1HSP90AB1
SCHEMBL8345609 0.84 HDAC6 (0.39) —
SCHEMBL6963069 0.83 HSP90B1 (0.34) HSP90B1TRAP1HSP90AA1HSP90AB1
SCHEMBL6970240 0.83 L3MBTL1 (0.36) HSP90B1
SCHEMBL6973990 0.83 MEN1 (0.34) —
SCHEMBL6159225 0.83 — —
SCHEMBL6967482 0.83 TLR8 (0.33) —

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
EP-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 — — EP disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 — — US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 — — EP disclosed