SCHEMBL9119381

SCHEMBL9119381

COC(=O)C(CCCCCCO)Cc1ccccc1OCCCC(C)(C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
PPARG P37231 3/20 0.37
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 2/20 0.33
FOLH1 Q04609 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PSMB5 P28074 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32

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
SCHEMBL8799004 0.89 PPARG (0.38) PPARGPTGESALOX5TSHRALDH1A1
SCHEMBL8463998 0.84 PPARG (0.48) PPARGPTGESALOX5TSHRALDH1A1
SCHEMBL9119193 0.83 PPARG (0.53) PPARGPTGESALOX5TSHRALDH1A1
SCHEMBL9119992 0.83 PPARG (0.53) PPARGPTGESALOX5TSHRALDH1A1
SCHEMBL9119423 0.83 PPARG (0.53) PPARGPTGESALOX5TSHRALDH1A1
SCHEMBL9121693 0.83 PPARG (0.53) PPARGPTGESALOX5TSHRALDH1A1
SCHEMBL9121594 0.83 PPARG (0.53) PPARGPTGESALOX5TSHRALDH1A1
SCHEMBL9122739 0.81 PPARD (0.44) PPARGPTGESALOX5TSHRALDH1A1
SCHEMBL8799678 0.81 PPARG (0.37) PPARGPTGESALOX5TSHRALDH1A1
SCHEMBL8800191 0.80 PPARG (0.38) PPARGPTGESALOX5TSHRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434186-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1995-07-18 US disclosed
US-5273999-A A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0531823-A1 Bicyclic carboxylic acid derivatives as anti-inflammatory agents F. HOFFMANN-LA ROCHE AG (CH) 1993-03-17 EP disclosed