SCHEMBL6944389

SCHEMBL6944389

CCOC(=O)C(C)COc1cc(CCCCCCCC(=O)O)ccc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
PPARA Q07869 3/20 0.37
PPARG P37231 2/20 0.37
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
S1PR1 P21453 3/20 0.35
RXRA P19793 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR3 Q99500 2/20 0.34
S1PR2 O95136 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
SCHEMBL6948258 0.80 PPARA (0.38) RENMRGPRX4PPARAPPARGMAPT
SCHEMBL6942587 0.75 MRGPRX4 (0.44) RENMRGPRX4FFAR4RXRA
SCHEMBL6948450 0.73 RAF1 (0.49) MRGPRX4MAPTRXFP1FFAR4RXRA
SCHEMBL6948152 0.73 PPARA (0.43) RENMRGPRX4PPARAPPARG
SCHEMBL6948146 0.73 PPARA (0.43) RENMRGPRX4PPARAPPARG
Methane SCHEMBL6947967 0.72 RXFP1 (0.40) PPARAPPARGMAPTRXFP1RXRA
SCHEMBL6949592 0.72 RXFP1 (0.50) PPARAMAPTRXFP1POLBTDP1
SCHEMBL6044812 0.71 REN (0.61) REN
SCHEMBL6044804 0.71 REN (0.61) REN
SCHEMBL27773869 0.70 PPARA (0.50) PPARAPPARGMAPTRXFP1POLB

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