SCHEMBL4450745

SCHEMBL4450745

CCCCCC(O)c1cc(CC(CC)C(=O)O)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.51
PPARG P37231 7/20 0.51
PPARD Q03181 8/20 0.51
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47

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
SCHEMBL4459430 0.80 PPARA (0.69) PPARAPPARGPPARD
SCHEMBL4458644 0.79 PPARA (0.67) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL28622516 0.77 ALOX15 (0.60) PPARAPPARGPPARD
SCHEMBL4450866 0.76 PPARA (0.58) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL5047559 0.76 HTR1A (0.60)
SCHEMBL5051127 0.76 HTR1A (0.60)
SCHEMBL5047574 0.76 HTR1A (0.60)
SCHEMBL22462684 0.76 HTR1A (0.60)
SCHEMBL5955387 0.75 CYP3A4 (0.54) PPARAPPARG
SCHEMBL22345343 0.75 LDHA (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