SCHEMBL4630596

SCHEMBL4630596

CCCCc1cc([O])ccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.40
PPARA Q07869 1/20 0.37
TLR8 Q9NR97 1/20 0.36
HSD11B1 P28845 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
SOAT1 P35610 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
SCHEMBL4629849 0.95 GPR84 (0.42) PPARAGPR84SOAT1
SCHEMBL4630629 0.94 BID (0.43) PPARAGPR84SOAT1
SCHEMBL4629945 0.90 MAPT (0.39) PPARA
SCHEMBL4629941 0.84 DPP4 (0.41)
SCHEMBL27730914 0.83 PSMB5 (0.42) PSMB5PPARATLR8HSD11B1
SCHEMBL1765204 0.80 TYR (0.54) PSMB5
SCHEMBL11994132 0.80 MC4R (0.46) PSMB5
SCHEMBL28238287 0.80 ADORA3 (0.45) PSMB5HSD11B1
SCHEMBL29488620 0.80 RARB (0.52)
SCHEMBL15741313 0.80 RARB (0.52)

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
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed