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SCHEMBL8444451

SCHEMBL8444451

CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(N(C)C)cc(=O)oc3c2C)O[C@H]1C

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.45
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL8444453 0.93 HSP90AB1 (0.41) HSP90AB1
SCHEMBL6156477 0.85 HSP90AB1 (0.61) HSP90AB1
SCHEMBL8445424 0.84 HSP90AB1 (0.43) HSP90AB1KMT2A
SCHEMBL8440840 0.84 HSP90AB1 (0.42) HSP90AB1
SCHEMBL6156479 0.82 HSP90AB1 (0.53) HSP90AB1
SCHEMBL8445425 0.78 HSP90AB1 (0.39) HSP90AB1
SCHEMBL8441708 0.78 PDE3B (0.42) HSP90AB1
SCHEMBL6156198 0.71 HSP90AB1 (0.57) HSP90AB1
SCHEMBL8442613 0.71 HSP90AB1 (0.57) HSP90AB1
SCHEMBL6156897 0.71 HSP90AB1 (0.33) HSP90AB1

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
US-5968939-A ANTIBIOTICS FROM AMINOOXOBENZOPYRAN COMPOUNDS HOECHST MARION ROUSSEL (FR) 1999-10-19 — — US disclosed