SCHEMBL6155835

SCHEMBL6155835

CN(CCCC(C)(C)O)c1cccc(OCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
MTNR1A P48039 12/20 0.41
MTNR1B P49286 12/20 0.41
BCL2 P10415 1/20 0.41
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37

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
SCHEMBL6155493 0.97 APP (0.44) APPMTNR1AMTNR1BBCL2NR4A1
SCHEMBL6155134 0.89 APP (0.43) APPMTNR1AMTNR1BBCL2
SCHEMBL6156502 0.88 BCL2 (0.44) APPMTNR1AMTNR1BBCL2NR4A1
SCHEMBL6155295 0.87 APP (0.40) APPBCL2NR4A1NR4A2NR4A3
SCHEMBL6156106 0.86 APP (0.42) APPMTNR1AMTNR1BBCL2
SCHEMBL6156207 0.85 MTNR1A (0.42) APPMTNR1AMTNR1BBCL2NR4A1
SCHEMBL6155831 0.82 VDR (0.46) APPMTNR1AMTNR1BBCL2
SCHEMBL6156500 0.81 MTNR1A (0.42) APPMTNR1AMTNR1BBCL2NR4A1
SCHEMBL2107020 0.80 CYP4F2 (0.46) APPNR4A1NR4A2NR4A3
SCHEMBL6155485 0.79 VDR (0.45) APPMTNR1AMTNR1BBCL2

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 5 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 claimed
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US 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