SCHEMBL4573404

SCHEMBL4573404

O=C(c1cc(Cl)c(O)cc1O)N1Cc2cccc(C(=O)N3CCCC3)c2C1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 18/20 0.67
HSP90AB1 P08238 3/20 0.54
TRAP1 Q12931 3/20 0.54
HSP90B1 P14625 1/20 0.53

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
SCHEMBL4572951 0.98 HSP90AA1 (0.63) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL14193833 0.84 HSP90AA1 (0.56) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL384744 0.82 HSP90AA1 (0.82) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL30474300 0.82 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL14193529 0.81 HSP90AA1 (0.55) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL30474365 0.80 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL4573006 0.79 HSP90AA1 (0.55) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL14194864 0.76 KMT2A (0.41) TRAP1HSP90B1
SCHEMBL14193533 0.73 TMEM97 (0.41) TRAP1HSP90B1
SCHEMBL20677849 0.72 HSP90AA1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008053319-A1 AMIDE RESORCINOL COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-05-08 WO disclosed
WO-2008053319-A1 AMIDE RESORCINOL COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-05-08 WO disclosed