SCHEMBL4726629

SCHEMBL4726629

COc1cccc2[nH]cc(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c12

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.50

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
SCHEMBL4581221 0.84 HSP90AA1 (0.56) HSP90AA1
SCHEMBL20117828 0.82 HSP90AA1 (0.54) HSP90AA1
SCHEMBL4726191 0.82 MMP9 (0.38) HSP90AA1
SCHEMBL4779386 0.80 HSP90AA1 (0.53) HSP90AA1
SCHEMBL4579921 0.80 HSP90AA1 (0.56) HSP90AA1
SCHEMBL20117824 0.79 HSP90AA1 (0.51) HSP90AA1
SCHEMBL20117830 0.79 HSP90AA1 (0.51) HSP90AA1
SCHEMBL4581684 0.77 HSP90AA1 (0.53) HSP90AA1
SCHEMBL4579731 0.77 HSP90AA1 (0.61) HSP90AA1
SCHEMBL4579386 0.77 HSP90AA1 (0.53) HSP90AA1

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
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed