SCHEMBL4458624

SCHEMBL4458624

CCC(CCOc1cc2c(cc1-c1ccc(C(F)(F)F)cc1)CCC2=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.44
PPARD Q03181 8/20 0.44
BACE1 P56817 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
PPARG P37231 7/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37

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
SCHEMBL4450728 0.81 FFAR4 (0.44) PPARDBACE1PTGDR2PSEN1PSEN2
SCHEMBL4458626 0.79 BRD4 (0.58) PPARDBACE1PTGDR2
SCHEMBL4460094 0.79 BRD4 (0.36) PPARAPPARDPPARG
SCHEMBL4447366 0.79 BRD4 (0.36) PPARAPPARDPPARG
SCHEMBL4458627 0.78 BACE1 (0.42) PPARDBACE1AKR1C3AKR1C2PTGDR2
SCHEMBL13956446 0.77 FFAR4 (0.44) PPARDBACE1PTGDR2PSEN1PSEN2
SCHEMBL1561723 0.75 RXRA (0.55)
SCHEMBL13956477 0.75 BACE1 (0.48) PPARAPPARDBACE1AKR1C3AKR1C2
SCHEMBL4460417 0.74 PPARG (0.39) PPARAPPARDPPARG
SCHEMBL13956613 0.73 S1PR5 (0.39) PTGDR2

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