SCHEMBL6948398

SCHEMBL6948398

C=C(COc1cc(CCCCCCC(C(=O)O)C(C)C)ccc1C(C)(C)C)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.36
MRGPRX4 Q96LA9 1/20 0.34
PPARG P37231 5/20 0.33
PPARA Q07869 4/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PLA2G4A P47712 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
ACE2 Q9BYF1 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6948396 1.00 REN (0.36) RENMRGPRX4PPARGPPARAPTGES
SCHEMBL6948152 0.89 PPARA (0.43) RENMRGPRX4PPARGPPARAPTGES
SCHEMBL6948146 0.89 PPARA (0.43) RENMRGPRX4PPARGPPARAPTGES
SCHEMBL6948258 0.85 PPARA (0.38) RENMRGPRX4PPARGPPARARXRA
SCHEMBL6940931 0.82 MRGPRX4 (0.35) RENMRGPRX4PPARGPPARAPTGES
SCHEMBL6940935 0.82 MRGPRX4 (0.35) RENMRGPRX4PPARGPPARAPTGES
SCHEMBL6938924 0.81 REN (0.45) RENMRGPRX4PPARGPPARAPTGES
SCHEMBL6938930 0.81 REN (0.45) RENMRGPRX4PPARGPPARAPTGES
SCHEMBL6947793 0.79 REN (0.45) RENMRGPRX4PPARGPPARAPTGES
SCHEMBL6947788 0.79 REN (0.45) RENMRGPRX4PPARGPPARAPTGES

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