SCHEMBL6943578

SCHEMBL6943578

COCCCOc1cc(CC[C@H](O)C(C)C)ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
APP P05067 1/20 0.46
REN P00797 6/20 0.44
KDM4E B2RXH2 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PPARG P37231 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SLC2A1 P11166 1/20 0.42
C5AR1 P21730 1/20 0.42
BCHE P06276 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
NPY1R P25929 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
SCHEMBL6947316 0.86 STAT3 (0.52) REN
SCHEMBL6948739 0.81 MTNR1A (0.50) MTNR1AMTNR1BAPPRENKDM4E
SCHEMBL6948737 0.81 MTNR1A (0.50) MTNR1AMTNR1BAPPRENKDM4E
SCHEMBL6044557 0.80 MTNR1A (0.47) MTNR1AMTNR1BAPPKDM4ECYP1A2
SCHEMBL6045096 0.80 REN (0.48) RENPTGESALOX5PPARGSLC2A1
SCHEMBL6044140 0.80 REN (0.48) RENPTGESALOX5PPARGSLC2A1
SCHEMBL20577097 0.79 SIGMAR1 (0.47) REN
SCHEMBL13131318 0.79 APP (0.48) MTNR1AMTNR1BAPPKDM4ECYP1A2
SCHEMBL20576388 0.78 MTNR1A (0.47) MTNR1AMTNR1BAPPRENKDM4E
SCHEMBL20482623 0.78 MEN1 (0.48) MTNR1AMTNR1BAPPRENKDM4E

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