SCHEMBL6944108

SCHEMBL6944108

COCCCOc1cc(CCCCCCC(C(=O)O)(C(C)C)C(C)C)ccc1OCCCO

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.39
PPARA Q07869 2/20 0.39
REN P00797 8/20 0.38
PPARG P37231 2/20 0.37
KCNH2 Q12809 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35

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
SCHEMBL6945137 0.95 BIRC5 (0.42) BIRC5PPARAPPARGKCNH2TMEM97
SCHEMBL6943259 0.92 REN (0.43) PPARARENPPARGKCNH2PDE4A
SCHEMBL6947261 0.88 PPARA (0.36) BIRC5PPARARENPPARGKCNH2
SCHEMBL6941098 0.86 ALDH1A1 (0.38) PPARAPPARGPDE4APDE4BPDE4C
SCHEMBL6941120 0.85 PPARA (0.39) PPARARENPPARG
SCHEMBL6943661 0.83 LMNA (0.47) RENSIGMAR1
SCHEMBL6946553 0.81 PPARA (0.43) PPARARENPPARG
SCHEMBL6948686 0.81 CNR2 (0.38) PPARARENPPARG
SCHEMBL6944413 0.79 REN (0.48) REN
Hydrochloric Acid SCHEMBL6947816 0.78 REN (0.49) REN

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