SCHEMBL6155846

SCHEMBL6155846

CCC(O)(CC)CCCN(Cc1ccccc1)c1cccc(OCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.46
BCHE P06276 7/20 0.40
CETP P11597 3/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
BCL2 P10415 2/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
MAOB P27338 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
SCHEMBL6155129 0.86 VDR (0.48) VDRMTNR1AMTNR1BBCL2
SCHEMBL6155868 0.84 CETP (0.46) BCHECETPMTNR1AMTNR1BNR1H2
SCHEMBL6156102 0.83 VDR (0.48) VDRMTNR1AMTNR1B
SCHEMBL6155289 0.82 VDR (0.46) VDRBCHECETPBCL2KMT2A
SCHEMBL6158285 0.77 VDR (0.49) VDRKMT2AMAOB
SCHEMBL6155122 0.77 VDR (0.48) VDRBCHE
SCHEMBL4169944 0.76 VDR (0.50) VDRBCL2MAOB
SCHEMBL6156380 0.76 VDR (0.50) VDRBCL2MAOB
SCHEMBL6155831 0.76 VDR (0.46) VDRMTNR1AMTNR1BBCL2
SCHEMBL6156099 0.76 VDR (0.48) VDRBCHE

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 8 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
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 claimed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP claimed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO 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