SCHEMBL4460104

SCHEMBL4460104

CCC(CCC(=O)O)Oc1cc2c(cc1Br)CCC2=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
HSD17B1 P14061 1/20 0.31
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31

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
SCHEMBL4447372 0.86 BRD4 (0.34) BRD4HSD17B1PPARGPPARDPPARA
SCHEMBL4460423 0.81 LTB4R (0.37) PPARA
SCHEMBL4458627 0.79 BACE1 (0.42) PPARD
SCHEMBL4460094 0.74 BRD4 (0.36) BRD4THRBMTNR1AMTNR1BPPARG
SCHEMBL7974213 0.74 ALDH1A1 (0.44) PPARGPPARDPPARA
SCHEMBL8626426 0.71 FFAR4 (0.42) THRATHRBPPARDPPARA
SCHEMBL30701777 0.71 HTR2A (0.43) BRD4HSD17B1
SCHEMBL10738581 0.71 HTR1A (0.39) PPARGPPARDPPARA
SCHEMBL1561740 0.70 HTR2A (0.51)
SCHEMBL4450029 0.69 CYSLTR2 (0.36) PPARGPPARA

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-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed