SCHEMBL6505767

SCHEMBL6505767

CCC(Cc1ccc(OC)c(C(N)C(=O)c2ncc(Cl)cc2Cl)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.48
PPARD Q03181 8/20 0.43
PPARG P37231 7/20 0.43
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL6505769 0.79 PPARA (0.65) PPARAPPARDPPARG
SCHEMBL6498726 0.77 PPARA (0.46) PPARAPPARDPPARG
SCHEMBL6508218 0.75 PPARA (0.45) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL3943367 0.74 PPARA (0.64) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL3944237 0.74 PPARA (0.63) PPARAPPARDPPARG
SCHEMBL3945778 0.72 PPARA (0.64) PPARAPPARDPPARG
SCHEMBL28622516 0.68 ALOX15 (0.60) PPARAPPARDPPARG
SCHEMBL4450745 0.68 PPARA (0.51) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL4450866 0.67 PPARA (0.58) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL1682680 0.66 FOS (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed