SCHEMBL14045447

SCHEMBL14045447

Cc1cccc(COCCCCCOCc2ccc3ccccc3n2)c1C(=O)N=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.45
CYSLTR2 Q9NS75 6/20 0.45
GPBAR1 Q8TDU6 5/20 0.42
ALOX5AP P20292 1/20 0.40
ALOX5 P09917 4/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL14045450 0.99 CYSLTR1 (0.45) CYSLTR1CYSLTR2GPBAR1ALOX5APALOX5
SCHEMBL14045446 0.97 CYSLTR1 (0.43) CYSLTR1CYSLTR2GPBAR1ALOX5APALOX5
SCHEMBL14045430 0.89 CYSLTR1 (0.46) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL4850064 0.88 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4848359 0.87 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL14045431 0.87 CYSLTR1 (0.39) CYSLTR1CYSLTR2GPBAR1ALOX5APALOX5
SCHEMBL4846550 0.86 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1ALOX5AP
SCHEMBL4848377 0.85 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1ALOX5AP
SCHEMBL4841446 0.85 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1CYP1A2
SCHEMBL4844970 0.83 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1ALOX5APCYP1A2

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