SCHEMBL5069653

SCHEMBL5069653

CC(C)(C)CC(C(=O)N1CNCNC1(C(=O)C(CC(C)(C)C)c1ccc(O)c(C(C)(C)C)c1)C(=O)C(CC(C)(C)C)c1ccc(O)c(C(C)(C)C)c1)c1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.32
HSP90AB1 P08238 5/20 0.32

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
SCHEMBL6360910 0.83 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL78350 0.76 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL1278439 0.71 ALDH1A1 (0.43) HSP90AA1HSP90AB1
SCHEMBL7191051 0.71 HSP90AA1 (0.36) HSP90AA1HSP90AB1
SCHEMBL8053231 0.70 ALDH1A1 (0.42) HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL1874071 0.70 ALDH1A1 (0.42) HSP90AA1HSP90AB1
SCHEMBL2400361 0.70 ALDH1A1 (0.42) HSP90AA1HSP90AB1
SCHEMBL29027383 0.69 HSP90AA1 (0.35) HSP90AA1HSP90AB1
SCHEMBL9614661 0.69 ATM (0.34) HSP90AA1HSP90AB1
SCHEMBL76907 0.69 ALDH1A1 (0.45) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900742-A1 PROCESS FOR PREPARING A POLYPROPYLENE-BASED OBJECT HAVING AN INCREASED SURFACE ENERGY Clariant Finance (BVI) Limited (VG) 2015-08-05 EP disclosed
WO-2008084046-A1 PLASTICIZERS FOR POLYVINYL ACETALS AND POLYSULFIDES BASF SE (DE) 2008-07-17 WO disclosed
WO-2008012292-A1 LIQUID CRYSTALLINE BLEND BASF SE (DE) 2008-01-31 WO disclosed
EP-1774071-A1 WETTABLE POLYESTER FIBERS AND FABRICS Ciba SC Holding AG (CH) 2007-04-18 EP disclosed
WO-2006008256-A1 WETTABLE POLYESTER FIBERS AND FABRICS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-01-26 WO disclosed
EP-1608620-A1 WATER COMPATIBLE STERICALLY HINDERED ALKOXYAMINES AND HYDROXY SUBSTITUTED ALKOXYAMINES Ciba SC Holding AG (CH) 2005-12-28 EP disclosed
WO-2004076419-A1 WATER COMPATIBLE STERICALLY HINDERED ALKOXYAMINES AND HYDROXY SUBSTITUTED ALKOXYAMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-09-10 WO disclosed