SCHEMBL4880708

SCHEMBL4880708

Cc1cccc(COCCCNc2ccc3ccccc3n2)c1OCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.45
NOTUM Q6P988 1/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
WNT3A P56704 3/20 0.36
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36

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
SCHEMBL14021731 0.93 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2L3MBTL1ATM
SCHEMBL4849425 0.85 SMN1; SMN2 (0.43) ALDH1A1MAPTSMN1; SMN2L3MBTL1ATM
SCHEMBL4889143 0.84 CYSLTR1 (0.47) ALDH1A1MAPTSMN1; SMN2L3MBTL1ATM
SCHEMBL4856376 0.84 CYSLTR1 (0.50) PTGDR2CYSLTR2CYSLTR1
SCHEMBL4850014 0.84 SMN1; SMN2 (0.41) ALDH1A1MAPTSMN1; SMN2L3MBTL1ATM
SCHEMBL4845162 0.82 NOTUM (0.42) ALDH1A1MAPTSMN1; SMN2L3MBTL1ATM
SCHEMBL4843095 0.82 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2L3MBTL1ATM
SCHEMBL4841922 0.82 CYSLTR1 (0.47) ALDH1A1MAPTSMN1; SMN2L3MBTL1ATM
SCHEMBL4843277 0.80 NOTUM (0.41) ALDH1A1MAPTSMN1; SMN2L3MBTL1ATM
SCHEMBL5726739 0.80 CYSLTR1 (0.47) MAPTPTGDR2NOTUMHDAC6CYSLTR2

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