SCHEMBL6155227

SCHEMBL6155227

CN(CCCCC(C)(C)O)c1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 0.50
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
CYP3A4 P08684 1/20 0.44
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35

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
SCHEMBL10495028 0.80 HTR7 (0.55) HTR7ALDH1A1TSHRCYP3A4MTNR1A
SCHEMBL14818792 0.79 ALDH1A1 (0.55) HTR7ALDH1A1TSHRCYP3A4MTNR1A
SCHEMBL8403505 0.75 ALDH1A1 (0.59) HTR7ALDH1A1TSHRCYP3A4MTNR1A
SCHEMBL29591101 0.75 ALDH1A1 (0.59) HTR7ALDH1A1TSHRCYP3A4MTNR1A
SCHEMBL2388543 0.75 ALDH1A1 (0.59) HTR7ALDH1A1TSHRCYP3A4MTNR1A
SCHEMBL5145010 0.75 ALDH1A1 (0.59) HTR7ALDH1A1TSHRCYP3A4MTNR1A
SCHEMBL20390461 0.75 HTR7 (0.54) HTR7ALDH1A1TSHRCYP3A4MTNR1A
SCHEMBL4500081 0.74 ALDH1A1 (0.57) HTR7ALDH1A1TSHRCYP3A4MTNR1A
SCHEMBL29235215 0.74 ALDH1A1 (0.57) HTR7ALDH1A1TSHRCYP3A4MTNR1A
SCHEMBL6155493 0.74 APP (0.44) MTNR1AMTNR1B

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 4 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
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