SCHEMBL2858262

SCHEMBL2858262

CCCc1cc(C(=O)CC)ccc1-c1cc(CCc2ccc(C(O)O)cc2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.43
PPARG P37231 10/20 0.43
PPARA Q07869 10/20 0.43
RARB P10826 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
PLK1 P53350 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL2863419 0.86 RAB9A (0.42) VDRPPARGPPARAALDH1A1HPGD
SCHEMBL2858257 0.83 VDR (0.63) VDRPPARGPPARARARBL3MBTL1
SCHEMBL2855027 0.78 HTT (0.41) VDRPPARGPPARAALDH1A1HPGD
SCHEMBL2863408 0.78 VDR (0.49) VDRPPARGPPARAALDH1A1HPGD
SCHEMBL2854602 0.75 ALDH1A1 (0.39) VDRPPARGPPARAALDH1A1HPGD
SCHEMBL3283557 0.74 LTB4R (0.41) PPARGPPARAALDH1A1HPGDHTT
SCHEMBL2858749 0.72 MAPT (0.36) PPARARARBL3MBTL1ALDH1A1
SCHEMBL2856305 0.71 PPARG (0.37) PPARGPPARAHPGD
SCHEMBL2863416 0.71 VDR (0.58) VDRPPARGPPARAALDH1A1HPGD
SCHEMBL2853384 0.70 RAB9A (0.46) VDRPPARGPPARAALDH1A1HPGD

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-1456160-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2010-01-20 EP disclosed
EP-1456160-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-09-15 EP disclosed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 WO disclosed