SCHEMBL6497980

SCHEMBL6497980

COc1ccc(CC(OC(C)C)C(=O)O)cc1COCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.54
PPARD Q03181 12/20 0.54
MMP1 P03956 1/20 0.51
PPARG P37231 8/20 0.50
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44

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
SCHEMBL6494999 0.90 PPARA (0.50) PPARAPPARDMMP1PPARG
SCHEMBL6503203 0.89 PPARA (0.48) PPARAPPARDMMP1PPARG
SCHEMBL7686808 0.86 PPARA (0.44) PPARAPPARDMMP1PPARG
SCHEMBL6497495 0.85 PPARA (0.42) PPARAPPARDMMP1PPARG
SCHEMBL4328750 0.85 PPARA (0.56) PPARAPPARDMMP1PPARGPSEN1
SCHEMBL6505336 0.84 PPARA (0.53) PPARAPPARDMMP1PPARG
SCHEMBL6494547 0.83 PPARA (0.74) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6505645 0.83 PPARA (0.55) PPARAPPARDMMP1PPARG
SCHEMBL6502352 0.83 PPARA (0.79) PPARAPPARDPPARG
SCHEMBL6505581 0.83 LDHA (0.45) PPARAPPARDMMP1PPARG

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