SCHEMBL6156516

SCHEMBL6156516

OCc1ccc(I)cc1CO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.43
SLC6A2 P23975 4/20 0.42
IDO1 P14902 1/20 0.36
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ERN1 O75460 1/20 0.32
TYR P14679 1/20 0.32
APOBEC3G Q9HC16 1/20 0.31
KLF10 Q13118 1/20 0.30

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
SCHEMBL16831106 0.86 SLC6A4 (0.42) SLC6A4SLC6A2IDO1GRIA1GRIA2
SCHEMBL28879893 0.82 IDO1 (0.39) SLC6A4SLC6A2IDO1ERN1TYR
SCHEMBL28879920 0.82 SLC6A4 (0.42) SLC6A4SLC6A2IDO1ERN1APOBEC3G
SCHEMBL4290170 0.80 TYR (0.39) SLC6A4SLC6A2IDO1ERN1TYR
SCHEMBL2120782 0.80 KLF10 (0.50) SLC6A4SLC6A2IDO1ERN1KLF10
SCHEMBL31318281 0.78 SLC6A4 (0.40) SLC6A4SLC6A2
SCHEMBL9984918 0.78 SLC6A4 (0.44) SLC6A4SLC6A2KLF10
SCHEMBL1477460 0.78 SLC6A4 (0.40) SLC6A4SLC6A2
SCHEMBL2616934 0.78 SLC6A4 (0.43) SLC6A4SLC6A2IDO1
SCHEMBL30822631 0.78 IDO1 (0.41) SLC6A4SLC6A2IDO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1282636-C Vitamin D analogues GALDERMA RES & DEV (FR) 2006-11-01 CN disclosed
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
CN-1332711-A Vitamin D analogues GALDERMA RES & DEV (FR) 2002-01-23 CN 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