SCHEMBL6156500

SCHEMBL6156500

CN(CCCC(C)(C)O)c1cccc(OCc2ccc(CC(=O)O)c(CC(=O)O)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.42
MTNR1B P49286 12/20 0.42
BCL2 P10415 2/20 0.42
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
APP P05067 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
CFD P00746 1/20 0.38

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
SCHEMBL6156203 0.97 MTNR1A (0.42) MTNR1AMTNR1BBCL2LTB4RLTB4R2
SCHEMBL6156550 0.90 BCL2 (0.41) MTNR1AMTNR1BBCL2LTB4RLTB4R2
SCHEMBL6157281 0.88 MTNR1A (0.39) MTNR1AMTNR1BBCL2LTB4RLTB4R2
SCHEMBL6155831 0.86 VDR (0.46) MTNR1AMTNR1BBCL2APP
SCHEMBL6155485 0.83 VDR (0.45) MTNR1AMTNR1BBCL2APP
SCHEMBL6156502 0.81 BCL2 (0.44) MTNR1AMTNR1BBCL2LTB4RLTB4R2
SCHEMBL6156109 0.81 CFD (0.39) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL6155835 0.81 APP (0.44) MTNR1AMTNR1BBCL2APPNR4A1
SCHEMBL6156207 0.78 MTNR1A (0.42) MTNR1AMTNR1BBCL2LTB4RLTB4R2
SCHEMBL6156495 0.78 BCHE (0.49)

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 3 patents. 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
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed