SCHEMBL9940599

SCHEMBL9940599

CCC(=O)ONC(=O)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.56
NR1H4 Q96RI1 2/20 0.56
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MAPK1 P28482 2/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 1/20 0.54
XBP1 P17861 1/20 0.54
KMT2A Q03164 1/20 0.54
TRPV1 Q8NER1 3/20 0.51
LMNA P02545 3/20 0.51
STAT1 P42224 1/20 0.51
HDAC3 O15379 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51

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
SCHEMBL28294733 0.80 HDAC1 (0.53) EPHX2NR1H4MAPTSMN1; SMN2RAB9A
SCHEMBL22096914 0.79 SMN1; SMN2 (0.62) EPHX2NR1H4MAPTSMN1; SMN2RAB9A
SCHEMBL13756246 0.78 MAPT (0.81) EPHX2NR1H4MAPTSMN1; SMN2RAB9A
SCHEMBL2730172 0.78 MAPT (0.81) EPHX2NR1H4MAPTSMN1; SMN2RAB9A
SCHEMBL6387783 0.76 MAPT (0.62) EPHX2NR1H4MAPTSMN1; SMN2RAB9A
SCHEMBL12233865 0.75 MAPT (0.58) EPHX2NR1H4MAPTSMN1; SMN2RAB9A
SCHEMBL17072026 0.75 EPHX2 (0.74) EPHX2NR1H4MAPTSMN1; SMN2RAB9A
SCHEMBL9037064 0.75 NPC1 (0.66) EPHX2NR1H4MAPTSMN1; SMN2RAB9A
SCHEMBL12264103 0.74 RAB9A (0.65) EPHX2NR1H4MAPTSMN1; SMN2RAB9A
SCHEMBL21840834 0.74 RAB9A (0.55) EPHX2NR1H4MAPTSMN1; SMN2RAB9A

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-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed