SCHEMBL4849425

SCHEMBL4849425

Cc1cccc(COCCCNc2ccc3ccccc3n2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOTUM Q6P988 1/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
WNT3A P56704 4/20 0.40
PDE10A Q9Y233 1/20 0.38
HTR1A P08908 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GSK3B P49841 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL4845162 0.97 NOTUM (0.42) SMN1; SMN2ALDH1A1MAPTATML3MBTL1
SCHEMBL4843095 0.91 MAPT (0.43) SMN1; SMN2ALDH1A1MAPTATML3MBTL1
SCHEMBL4843277 0.88 NOTUM (0.41) SMN1; SMN2ALDH1A1MAPTATML3MBTL1
SCHEMBL4880708 0.85 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTATML3MBTL1
SCHEMBL14021730 0.84 MAPT (0.42) SMN1; SMN2ALDH1A1MAPTATML3MBTL1
SCHEMBL14021731 0.83 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTATML3MBTL1
SCHEMBL4848359 0.83 CYSLTR1 (0.50)
SCHEMBL4841446 0.83 CYSLTR1 (0.47)
SCHEMBL4850064 0.82 CYSLTR1 (0.49)
SCHEMBL4847061 0.81 MAPT (0.40) SMN1; SMN2ALDH1A1MAPTATML3MBTL1

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
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed