SCHEMBL5616002

SCHEMBL5616002

O=C(NCCCc1ccccc1)OCCl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
CHRNB2 P17787 1/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA4 P43681 1/20 0.58
NPC1 O15118 3/20 0.57
HPGD P15428 2/20 0.57
RAB9A P51151 2/20 0.57
GAA P10253 1/20 0.57
EPHX2 P34913 1/20 0.55
HTT P42858 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL13895513 0.85 HTT (0.74) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6748819 0.84 HTT (0.72) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11587943 0.84 HDAC3 (0.74) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22281731 0.84 L3MBTL1 (0.58) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19438762 0.83 CHRNB2 (0.64) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7413222 0.81 L3MBTL1 (0.64) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23120359 0.81 CHRNB2 (0.62) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25243105 0.81 HTT (0.68) L3MBTL1EPHX2HTTHDAC3HDAC4
SCHEMBL7276818 0.80 HTT (0.67) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9488115 0.80 CASP1 (0.62) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4

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-2007146085-A2 CREATINE PHOSPHATE PRODRUGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2007-12-21 WO disclosed