SCHEMBL4450866

SCHEMBL4450866

CCC(Cc1ccc(OC)c(Br)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.58
PPARG P37231 7/20 0.58
PPARD Q03181 8/20 0.57
LDHA P00338 1/20 0.54
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53

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
SCHEMBL16973511 0.87 LDHA (0.49) PPARAPPARGPPARDLDHA
SCHEMBL28622516 0.84 ALOX15 (0.60) PPARAPPARGPPARDLDHA
SCHEMBL8000384 0.81 PDCD1 (0.56) PPARGLDHA
SCHEMBL6339536 0.81 PDCD1 (0.56) PPARGLDHA
SCHEMBL1682680 0.81 FOS (0.60) PPARAPPARGPPARDLDHA
SCHEMBL15760890 0.81 PDCD1 (0.56) PPARGLDHA
SCHEMBL1819058 0.79 LDHA (0.52) LDHA
SCHEMBL28611663 0.78 PPARA (0.64) PPARAPPARGPPARDLDHA
SCHEMBL5797127 0.77 ALDH1A1 (0.53) LDHA
SCHEMBL4459430 0.77 PPARA (0.69) PPARAPPARGPPARD

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