SCHEMBL9230474

SCHEMBL9230474

CC(C)C[C@H](N)C(=O)OCC1CC1(COC(=O)[C@@H](N)CC(C)C)Cn1cnc2cnc(N)nc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ADRA1A P35348 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HDAC6 Q9UBN7 2/20 0.36
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
LNPEP Q9UIQ6 1/20 0.32
MARS1 P56192 1/20 0.31

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
SCHEMBL8446161 0.91 KDM4E (0.46) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9230518 0.89 KDM4E (0.45) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9222934 0.85 HDAC6 (0.39) HDAC6HSP90AA1HSP90AB1
SCHEMBL4968006 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8446252 0.75 HDAC6 (0.42) HDAC6HSP90AA1HSP90AB1
SCHEMBL9225003 0.74 HDAC6 (0.41) HDAC6HSP90AA1HSP90AB1
SCHEMBL7449974 0.71 HDAC6 (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7954207 0.71 HDAC6 (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8444883 0.70 MEN1 (0.51) ALDH1A1HSD17B10
SCHEMBL2943210 0.69 KDM4E (0.47) KDM4EALDH1A1HPGDADRA1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0654473-A1 Cyclopropane derivatives and antiviral agents containing the same Ajinomoto Co., Inc. (JP) 1995-05-24 EP disclosed