SCHEMBL6945137

SCHEMBL6945137

CC(C)C(CCCCCCc1ccc(OCCCO)c(OCCCO)c1)(C(=O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.42
PPARA Q07869 4/20 0.39
PPARG P37231 3/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
KCNH2 Q12809 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
RAF1 P04049 1/20 0.35
MAP2K1 Q02750 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
S1PR1 P21453 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
SCHEMBL6944108 0.95 BIRC5 (0.39) BIRC5PPARAPPARGPTGESALOX5
SCHEMBL6943259 0.85 REN (0.43) PPARAPPARGKCNH2PDE4APDE4B
SCHEMBL6947261 0.82 PPARA (0.36) BIRC5PPARAPPARGPTGESALOX5
SCHEMBL6941098 0.80 ALDH1A1 (0.38) PPARAPPARGKDM4EKMT2APDE4A
SCHEMBL8859852 0.80 REN (0.39) BIRC5PPARAPPARGPTGESALOX5
SCHEMBL6941120 0.79 PPARA (0.39) PPARAPPARGKDM4EKMT2A
SCHEMBL6943661 0.78 LMNA (0.47) SIGMAR1KDM4E
SCHEMBL6946553 0.76 PPARA (0.43) PPARAPPARG
SCHEMBL6943847 0.75 PPARA (0.40) PPARAPPARGKDM4E
SCHEMBL6948686 0.75 CNR2 (0.38) PPARAPPARG

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