SCHEMBL6155726

SCHEMBL6155726

CC(C)(O)CCCCCc1ccc(CCc2cc(O)cc(O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
PTGS2 P35354 5/20 0.53
CYP3A4 P08684 2/20 0.50
CALM1 P0DP23 2/20 0.46
CBS P35520 1/20 0.46
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
TP53 P04637 1/20 0.44
HSPD1 P10809 1/20 0.44
ADRB3 P13945 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL6155799 0.98 LTA4H (0.55) LTA4HPTGS2CYP3A4CALM1CBS
SCHEMBL6155393 0.89 PTGS2 (0.49) LTA4HPTGS2CYP3A4CBS
SCHEMBL6154984 0.83 PTGS1 (0.46) LTA4HPTGS2CYP3A4ESR1SLC6A2
SCHEMBL6154979 0.83 PTGS1 (0.46) LTA4HPTGS2CYP3A4ESR1SLC6A2
SCHEMBL31545107 0.82 PTGS2 (0.53) LTA4HPTGS2CYP3A4CALM1CBS
SCHEMBL6154687 0.81 PTGS1 (0.47) LTA4HPTGS2CYP3A4ESR1SLC6A2
SCHEMBL6154690 0.81 PTGS1 (0.47) LTA4HPTGS2CYP3A4ESR1SLC6A2
SCHEMBL6884197 0.80 ALOX15 (0.63) ADRA2ASLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL15559603 0.78 ESR1 (0.50) PTGS2CYP3A4CALM1ESR1ADRA2A
SCHEMBL27557366 0.77 BCHE (0.47) ESR1ACHE

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