SCHEMBL17624924

SCHEMBL17624924

CCCCC(=O)N(C)CC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34

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
SCHEMBL9457 0.83 ALDH1A1 (0.47) ALDH1A1KMT2ACYP1A2
SCHEMBL13246056 0.83 KDM4E (0.45) KDM4EPKMKMT2AMEN1HTT
SCHEMBL228026 0.78 KDM4E (0.44) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL5988002 0.75 PIK3CD (0.43) KDM4EKMT2AMEN1POLBMAPT
SCHEMBL1768572 0.75 KDM4E (0.41) KDM4EKMT2AMEN1POLBMAPT
SCHEMBL1768574 0.75 KDM4E (0.41) KDM4EKMT2AMEN1POLBMAPT
SCHEMBL24772554 0.74 ALOX5 (0.41) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL9957440 0.74 KDM4E (0.40) KDM4EKMT2APOLBMAPTNPC1
SCHEMBL15932470 0.73 KDM4E (0.38) KDM4EPKMKMT2APOLBMAPT
SCHEMBL2718787 0.73 ALOX5 (0.43) KMT2AMEN1NPC1RAB9ACYP1A2

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
WO-2016044585-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed