SCHEMBL6154250

SCHEMBL6154250

COC(=O)CC/C=C(\C)c1cccc(SSc2cccc(/C(C)=C/CCC(=O)O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TBXAS1 P24557 5/20 0.40
APEX1 P27695 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ESRRB O95718 1/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
TSHR P16473 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
SCHEMBL6154255 1.00 AKT1 (0.44) AKT1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL6154265 1.00 AKT1 (0.44) AKT1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL6881468 0.79 AKT1 (0.47) AKT1HSD17B10TBXAS1MEN1KMT2A
SCHEMBL6881472 0.79 AKT1 (0.47) AKT1HSD17B10TBXAS1MEN1KMT2A
SCHEMBL6879981 0.77 TBXAS1 (0.41) CYP1A2CYP2C9HPGDHSD17B10TBXAS1
SCHEMBL6879986 0.77 TBXAS1 (0.41) CYP1A2CYP2C9HPGDHSD17B10TBXAS1
SCHEMBL6879977 0.77 TBXAS1 (0.41) CYP1A2CYP2C9HPGDHSD17B10TBXAS1
SCHEMBL6154731 0.74 CA12 (0.49) HSD17B10TBXAS1
SCHEMBL6154738 0.74 CA12 (0.49) HSD17B10TBXAS1
SCHEMBL6156377 0.74 CA12 (0.49) HSD17B10TBXAS1

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