SCHEMBL4334763

SCHEMBL4334763

COc1ccc(CC(C(=O)O)C(=O)O)cc1COC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.61
PPARD Q03181 12/20 0.54
PPARG P37231 7/20 0.52
LDHA P00338 1/20 0.48
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46

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
SCHEMBL13810392 0.94 PPARA (0.56) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL4345261 0.90 PPARA (0.55) PPARAPPARDPPARG
SCHEMBL4337850 0.90 PPARA (0.59) PPARAPPARDPPARGLDHAPSEN1
SCHEMBL4328750 0.89 PPARA (0.56) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL4334358 0.87 LDHA (0.52) PPARALDHA
SCHEMBL4340268 0.87 LDHA (0.52) PPARAPPARDPPARGLDHA
SCHEMBL4340426 0.87 LDHA (0.54) PPARAPPARDPPARGLDHA
SCHEMBL4338073 0.86 LDHA (0.51) PPARAPPARDPPARGLDHA
SCHEMBL13810423 0.85 PPARA (0.49) PPARAPPARDPPARG
SCHEMBL13810405 0.84 PPARA (0.55) PPARAPPARDPPARG

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed