SCHEMBL8580569

SCHEMBL8580569

CCC(=O)c1cccc([CH]c2cccc(C(=O)CC)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
UNG P13051 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
TTR P02766 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ACHE P22303 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL3033625 0.87 MAPT (0.43) MAPTSMN1; SMN2L3MBTL1UNGMEN1
SCHEMBL9720583 0.85 TDP1 (0.46) MAPTSMN1; SMN2L3MBTL1UNGMEN1
SCHEMBL19889497 0.84 ALDH1A1 (0.42) MAPTSMN1; SMN2L3MBTL1UNGMEN1
SCHEMBL10389972 0.83 SMN1; SMN2 (0.54) MAPTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL4667601 0.81 ALDH1A1 (0.57) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4667605 0.81 ALDH1A1 (0.57) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8581009 0.81 L3MBTL1 (0.51) MAPTSMN1; SMN2L3MBTL1UNGKMT2A
SCHEMBL4895021 0.80 EPHX2 (0.54) MAPTSMN1; SMN2L3MBTL1UNGMEN1
SCHEMBL11465197 0.78 MEN1 (0.49) SMN1; SMN2UNGMEN1KMT2AALDH1A1
SCHEMBL6671053 0.77 PRSS1 (0.52) MAPTSMN1; SMN2L3MBTL1ATMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed