SCHEMBL6155463

SCHEMBL6155463

CCC(O)(CC)CCCC(C)c1ccc(OCc2ccc(CO)c(CO)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.44
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HSP90AA1 P07900 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
FFAR1 O14842 5/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
BCHE P06276 1/20 0.33

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
SCHEMBL2785501 0.88 VDR (0.49) VDRFFAR1BCHE
SCHEMBL6155609 0.86 VDR (0.48) VDRFFAR1BCHE
SCHEMBL2106606 0.86 VDR (0.43) VDRMEN1KMT2AMRGPRX4BCHE
SCHEMBL6155503 0.86 VDR (0.47) VDRFFAR1TSHR
SCHEMBL6155468 0.82 NPC1 (0.42) NPC1RAB9AHSP90AA1L3MBTL1RXRA
SCHEMBL6155146 0.81 NPC1 (0.47) NPC1RAB9AHSP90AA1L3MBTL1RXRA
SCHEMBL7777000 0.81 VDR (0.39) VDRL3MBTL1MRGPRX4ALDH1A1
SCHEMBL6886818 0.79 NPC1 (0.48) NPC1RAB9AHSP90AA1L3MBTL1RXRA
SCHEMBL7778326 0.79 VDR (0.38) VDRL3MBTL1MRGPRX4
SCHEMBL2106608 0.78 MRGPRX4 (0.42) MRGPRX4FFAR1

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