SCHEMBL2636844

SCHEMBL2636844

COc1cc(C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
APP P05067 1/20 0.46
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
KDM1A O60341 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
RAD51 Q06609 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAP4K4 O95819 1/20 0.42
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL2636843 1.00 KDM4E (0.46) KDM4EMAPTAPPHDAC3HDAC1
SCHEMBL1974701 0.92 MAPT (0.48) KDM4EMAPTAPPHDAC3HDAC1
SCHEMBL1974700 0.92 MAPT (0.48) KDM4EMAPTAPPHDAC3HDAC1
SCHEMBL2636189 0.85 ACHE (0.48) KDM4EMAPTAPPHDAC3HDAC1
SCHEMBL2636400 0.85 ACHE (0.48) KDM4EMAPTAPPHDAC3HDAC1
SCHEMBL13003199 0.83 MAPT (0.44) KDM4EMAPTAPPHDAC3HDAC1
SCHEMBL2637559 0.81 KDM4E (0.45) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL2637557 0.81 KDM4E (0.45) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL1064876 0.79 KMT2A (0.51) KDM4EMAPTAPPALDH1A1GAA
SCHEMBL1064874 0.79 KMT2A (0.51) KDM4EMAPTAPPALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2437792-B1 IMAGING OF MYELIN BASIC PROTEIN GEN ELECTRIC (US) 2015-10-21 EP disclosed
US-8617515-B2 Imaging of myelin basic protein GENERAL ELECTRIC COMPANY (US) 2013-12-31 US disclosed
EP-2437792-A2 IMAGING OF MYELIN BASIC PROTEIN General Electric Company (US) 2012-04-11 EP disclosed
WO-2010141704-A2 IMAGING OF MYELIN BASIC PROTEIN GENERAL ELECTRIC COMPANY (US) 2010-12-09 WO disclosed