SCHEMBL4523147

SCHEMBL4523147

CC1(C)CC(=O)C2=C(C1)N=CC2(C)c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.54
HSP90AB1 P08238 13/20 0.54
HSP90B1 P14625 3/20 0.51
TRAP1 Q12931 3/20 0.51

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
SCHEMBL4527690 0.91 HSP90AA1 (0.44) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL4535145 0.90 HSP90AA1 (0.55) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL4526880 0.84 HSP90AA1 (0.47) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL5279605 0.81 HSP90AA1 (0.43) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL4524813 0.79 CDC7 (0.45) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL4539183 0.79 HSP90AA1 (0.48) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL4526380 0.77 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL1220352 0.70 HSP90AB1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1220884 0.70 HSP90AB1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1220347 0.70 HSP90AB1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4377942-B2 2009-12-02 JP claimed
JP-2008531599-A 2008-08-14 JP claimed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP claimed
WO-2006091963-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2006-08-31 WO claimed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP disclosed
WO-2006091963-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2006-08-31 WO disclosed