SCHEMBL6940727

SCHEMBL6940727

COc1ccc(CCCCCC[C@H](C(=O)O)C(C)C)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
APP P05067 1/20 0.52
SMPD1 P17405 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
RXRA P19793 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
BCHE P06276 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL6940732 1.00 MTNR1A (0.54) MTNR1AMTNR1BAPPSMPD1HDAC1
SCHEMBL6947411 0.85 SIGMAR1 (0.54) SMPD1SIGMAR1
SCHEMBL6947408 0.85 SIGMAR1 (0.54) SMPD1SIGMAR1
SCHEMBL7076864 0.84 PPARA (0.42) TRPV1PDE4APDE4BPDE4CPDE4D
SCHEMBL7076862 0.84 PPARA (0.42) TRPV1PDE4APDE4BPDE4CPDE4D
SCHEMBL6942961 0.83 REN (0.44) PDE4APDE4BPDE4CPDE4DSIGMAR1
SCHEMBL6942964 0.83 REN (0.44) PDE4APDE4BPDE4CPDE4DSIGMAR1
SCHEMBL6940652 0.82 TUBB4A (0.54) TRPV1KDM4ECYP1A2CYP3A4
SCHEMBL6940648 0.82 TUBB4A (0.54) TRPV1KDM4ECYP1A2CYP3A4
SCHEMBL8889965 0.80 APP (0.56) MTNR1AMTNR1BAPPSMPD1HDAC1

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