SCHEMBL6157281

SCHEMBL6157281

CCC(O)(CC)CCCCN(C)c1cccc(OCc2ccc(CC(=O)O)c(CC(=O)O)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.39
MTNR1B P49286 12/20 0.39
BCL2 P10415 2/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
APP P05067 1/20 0.36
CFD P00746 1/20 0.36

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
SCHEMBL6156550 0.97 BCL2 (0.41) MTNR1AMTNR1BBCL2PPARGPPARD
SCHEMBL6156203 0.91 MTNR1A (0.42) MTNR1AMTNR1BBCL2PPARGPPARD
SCHEMBL6156500 0.88 MTNR1A (0.42) MTNR1AMTNR1BBCL2PPARGPPARD
SCHEMBL6156102 0.87 VDR (0.48) MTNR1AMTNR1BAPP
SCHEMBL6155372 0.84 BCL2 (0.40) BCL2CFD
SCHEMBL6155129 0.84 VDR (0.48) MTNR1AMTNR1BBCL2APP
SCHEMBL6157286 0.82 BCL2 (0.41) MTNR1AMTNR1BBCL2PPARALTB4R
SCHEMBL6156106 0.82 APP (0.42) MTNR1AMTNR1BBCL2APP
SCHEMBL6157274 0.80 BCHE (0.47)
SCHEMBL6156554 0.79 BCL2 (0.43) MTNR1AMTNR1BBCL2PPARALTB4R

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
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed