SCHEMBL6154726

SCHEMBL6154726

CCC(O)(CC)C(O)CCC(C)(C)c1cccc(OCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
ALOX5 P09917 4/20 0.37
BCL2 P10415 1/20 0.36
MAOB P27338 1/20 0.35
PKM P14618 1/20 0.35
CACNA1B Q00975 1/20 0.35

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
SCHEMBL6154719 0.85 VDR (0.48) APPNR4A1NR4A2NR4A3ALOX5
SCHEMBL4169952 0.84 APP (0.40) APPNR4A1NR4A2NR4A3ALOX5
SCHEMBL6155676 0.82 BCHE (0.31)
SCHEMBL6156481 0.82 MAOB (0.39) APPNR4A1NR4A2NR4A3ALOX5
SCHEMBL6155637 0.79 MAOB (0.40) APPNR4A1NR4A2NR4A3BCL2
SCHEMBL6156001 0.77 VDR (0.41) APPNR4A1NR4A2NR4A3ALOX5
SCHEMBL6156388 0.75 ALOX5 (0.39) NR4A1NR4A2NR4A3ALOX5BCL2
SCHEMBL6155445 0.73 NR4A1 (0.40) APPNR4A1NR4A2NR4A3ALOX5
SCHEMBL2785504 0.72 CYSLTR2 (0.40) ALOX5
SCHEMBL6155587 0.71 CYSLTR2 (0.44) APPNR4A1NR4A2NR4A3ALOX5

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 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-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