SCHEMBL14045451

SCHEMBL14045451

Cc1cccc(COCCCOCc2ccc3ccccc3n2)c1OCC(=O)N=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.42
CYSLTR2 Q9NS75 6/20 0.42
GPBAR1 Q8TDU6 6/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL14045448 0.96 CYSLTR1 (0.43) CYSLTR1CYSLTR2GPBAR1ALDH1A1MAPT
SCHEMBL4889143 0.89 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1ALDH1A1MAPT
SCHEMBL4856376 0.87 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4841922 0.85 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1ALDH1A1MAPT
SCHEMBL14045446 0.83 CYSLTR1 (0.43) CYSLTR1CYSLTR2GPBAR1ALDH1A1MAPT
SCHEMBL14045450 0.81 CYSLTR1 (0.45) CYSLTR1CYSLTR2GPBAR1
SCHEMBL14045447 0.80 CYSLTR1 (0.45) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4841879 0.80 CYSLTR1 (0.42) CYSLTR1CYSLTR2GPBAR1ALDH1A1MAPT
SCHEMBL4841446 0.79 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4849551 0.78 CYSLTR1 (0.44) CYSLTR1CYSLTR2GPBAR1

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
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed