SCHEMBL6155870

SCHEMBL6155870

CCC(=O)c1cc(OCOC)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HMGCR P04035 1/20 0.47
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD11B1 P28845 1/20 0.46
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 3/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 5/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL29514451 0.85 HTT (0.62) MEN1KMT2AHMGCRMAPTHTT
SCHEMBL5743965 0.85 HTT (0.62) MEN1KMT2AHMGCRMAPTHTT
SCHEMBL31098753 0.82 THRA (0.48) HMGCRMAPTKDM4EHSD17B10TSHR
SCHEMBL7521761 0.80 HSP90AB1 (0.60) MEN1KMT2AHMGCRMAPTNPSR1
SCHEMBL9579295 0.77 HMGCR (0.56) MEN1KMT2AHMGCRMAPTHTT
SCHEMBL6156200 0.77 MAPT (0.42) MAPTHTTNPSR1KDM4EHSD17B10
SCHEMBL6156205 0.77 MAPT (0.42) MAPTHTTNPSR1KDM4EHSD17B10
SCHEMBL27823240 0.76 CYP2C19 (0.50) KMT2AHMGCRMAPTNPSR1KDM4E
SCHEMBL28553589 0.76 MTNR1A (0.50) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL2091365 0.76 MEN1 (0.60) MEN1KMT2AHMGCRMAPTHTT

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