SCHEMBL6948737

SCHEMBL6948737

COCCCOc1cc(CCCCCC[C@@H](C)C(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
APP P05067 1/20 0.50
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
PPARG P37231 1/20 0.47
LTB4R Q15722 3/20 0.44
RAF1 P04049 3/20 0.44
MAP2K1 Q02750 3/20 0.44
FFAR4 Q5NUL3 1/20 0.43
C5AR1 P21730 1/20 0.43
REN P00797 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6948739 1.00 MTNR1A (0.50) MTNR1AMTNR1BAPPPTGESALOX5
SCHEMBL6941202 0.88 PPARA (0.45) PPARGREN
SCHEMBL6941201 0.88 PPARA (0.45) PPARGREN
SCHEMBL6943578 0.81 MTNR1A (0.46) MTNR1AMTNR1BAPPPTGESALOX5
SCHEMBL11034611 0.80 MTNR1A (0.51) MTNR1AMTNR1BAPPFFAR4C5AR1
SCHEMBL20576388 0.79 MTNR1A (0.47) MTNR1AMTNR1BAPPPTGESALOX5
SCHEMBL6940727 0.79 MTNR1A (0.54) MTNR1AMTNR1BAPPHDAC1KDM4E
SCHEMBL6940732 0.79 MTNR1A (0.54) MTNR1AMTNR1BAPPHDAC1KDM4E
SCHEMBL13131318 0.78 APP (0.48) MTNR1AMTNR1BAPPC5AR1KDM4E
SCHEMBL6044557 0.77 MTNR1A (0.47) MTNR1AMTNR1BAPPC5AR1HDAC1

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