SCHEMBL6948146

SCHEMBL6948146

CCOC(=O)COc1cc(CCCCCC[C@H](C(=O)O)C(C)C)ccc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.43
PPARG P37231 3/20 0.43
REN P00797 5/20 0.39
ABCB1 P08183 1/20 0.37
ADRB3 P13945 2/20 0.37
F9 P00740 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL6948152 1.00 PPARA (0.43) PPARAPPARGRENABCB1ADRB3
SCHEMBL6948396 0.89 REN (0.36) PPARAPPARGRENMRGPRX4ACE2
SCHEMBL6948398 0.89 REN (0.36) PPARAPPARGRENMRGPRX4ACE2
SCHEMBL6940931 0.83 MRGPRX4 (0.35) PPARAPPARGRENMRGPRX4PTGES
SCHEMBL6940935 0.83 MRGPRX4 (0.35) PPARAPPARGRENMRGPRX4PTGES
SCHEMBL6947793 0.82 REN (0.45) PPARAPPARGRENMRGPRX4PTGES
SCHEMBL6938930 0.82 REN (0.45) PPARAPPARGRENMRGPRX4PTGES
SCHEMBL6947788 0.82 REN (0.45) PPARAPPARGRENMRGPRX4PTGES
SCHEMBL6938924 0.82 REN (0.45) PPARAPPARGRENMRGPRX4PTGES
SCHEMBL6942881 0.78 PPARA (0.42) PPARAREN

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
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed