SCHEMBL6508218

SCHEMBL6508218

CCC(Cc1ccc(OC)c(C(N)C(=O)c2ccc(Cl)c3ccoc23)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.45
PPARG P37231 9/20 0.42
PPARD Q03181 9/20 0.42
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 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
SCHEMBL6508221 0.80 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL6505767 0.75 PPARA (0.48) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL3943367 0.71 PPARA (0.64) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL3944237 0.71 PPARA (0.63) PPARAPPARGPPARD
SCHEMBL3945778 0.70 PPARA (0.64) PPARAPPARGPPARD
SCHEMBL6498726 0.69 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL28622516 0.66 ALOX15 (0.60) PPARAPPARGPPARD
SCHEMBL4450745 0.65 PPARA (0.51) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL4450866 0.65 PPARA (0.58) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL15709546 0.65 PPARG (0.48) 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 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