SCHEMBL8446252

SCHEMBL8446252

C[C@H](N)C(=O)OCC1CC1(COC(=O)[C@H](C)N)Cn1cnc2c(Cl)nc(N)nc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.42
HSP90AB1 P08238 14/20 0.40
HSP90AA1 P07900 13/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC4 P56524 1/20 0.40
HSP90B1 P14625 1/20 0.38
TRAP1 Q12931 1/20 0.38

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
SCHEMBL9225003 0.93 HDAC6 (0.41) HDAC6HSP90AB1HSP90AA1HDAC1HDAC4
SCHEMBL9222934 0.91 HDAC6 (0.39) HDAC6HSP90AB1HSP90AA1HDAC1HDAC4
SCHEMBL9396756 0.87 HDAC6 (0.44) HDAC6HSP90AB1HSP90AA1HDAC1HDAC4
SCHEMBL9396758 0.87 HDAC6 (0.44) HDAC6HSP90AB1HSP90AA1HDAC1HDAC4
SCHEMBL8446161 0.84 KDM4E (0.46) HDAC6HSP90AB1HSP90AA1
SCHEMBL8444883 0.83 MEN1 (0.51)
SCHEMBL9257397 0.81 HDAC1 (0.43) HDAC6HSP90AB1HSP90AA1HDAC1HDAC4
SCHEMBL9230518 0.77 KDM4E (0.45) HDAC6HSP90AB1HSP90AA1
SCHEMBL7452547 0.75 HDAC6 (0.44) HDAC6HSP90AB1HSP90AA1HDAC1HDAC4
SCHEMBL7452553 0.75 HDAC6 (0.44) HDAC6HSP90AB1HSP90AA1HDAC1HDAC4

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
EP-0654473-B1 Cyclopropane derivatives and antiviral agents containing the same AJINOMOTO KK (JP) 1999-09-08 EP disclosed
EP-0654473-A1 Cyclopropane derivatives and antiviral agents containing the same Ajinomoto Co., Inc. (JP) 1995-05-24 EP disclosed