SCHEMBL6155907

SCHEMBL6155907

CC/C(=C\C=C\C(O)(CC)CC)c1cc(OC)cc(OCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 5/20 0.77
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
PPARG P37231 4/20 0.32
PPARD Q03181 4/20 0.32
PPARA Q07869 4/20 0.32
FFAR1 O14842 2/20 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
SCHEMBL6154778 1.00 VDR (0.77) VDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6154773 1.00 VDR (0.77) VDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2781784 0.87 VDR (1.00) VDRMAOB
SCHEMBL2783741 0.87 VDR (1.00) VDRMAOB
SCHEMBL2781782 0.87 VDR (1.00) VDRMAOB
SCHEMBL2781792 0.87 VDR (1.00) VDRMAOB
SCHEMBL6154780 0.83 VDR (0.53) VDRPPARGPPARDPPARAFFAR1
SCHEMBL6155223 0.82 VDR (0.68) VDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6155232 0.82 VDR (0.68) VDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6155221 0.82 VDR (0.68) VDRTUBB4ATUBBTUBA3CTUBA1B

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-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP 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