SCHEMBL370458

SCHEMBL370458

CC1(C)CC(C(CC(=O)O)(C(=O)O)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CC1(C)CC(NC(=O)C(C)(C)NC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 2/20 0.31
EZH2 Q15910 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL76202 0.85 GAA (0.30) GAA
SCHEMBL7636337 0.77
SCHEMBL250845 0.76 GAA (0.51) GAAHTTKDM4EKMT2APOLB
SCHEMBL3624825 0.73
SCHEMBL6064905 0.73 GAA (0.38) GAAHTTKDM4EKMT2APOLB
SCHEMBL6032248 0.71
SCHEMBL7182595 0.70
SCHEMBL74875 0.70
SCHEMBL7509065 0.70
SCHEMBL939829 0.69 HSPD1 (0.32)

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
US-8097188-B2 Method of manufacturing optical film KONICA MINOLTA OPTO, INC. (JP) 2012-01-17 US disclosed