SCHEMBL6155601

SCHEMBL6155601

CCOCOCc1cc(COc2cccc(C(C)CCCC(C)(C)O)c2)cc(OCOCC)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
FFAR1 O14842 3/20 0.37
BCHE P06276 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 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
SCHEMBL6155603 0.87 FFAR1 (0.39) CYSLTR2CYSLTR1FFAR1BCHE
SCHEMBL2106818 0.79 CYSLTR2 (0.42) CYSLTR2CYSLTR1FFAR1BCHEMEN1
SCHEMBL6155587 0.77 CYSLTR2 (0.44) CYSLTR2CYSLTR1FFAR1BCHEMEN1
SCHEMBL6155571 0.74 VDR (0.46) CYSLTR2CYSLTR1FFAR1BCHEALOX5
SCHEMBL6155248 0.74 CYSLTR2 (0.42) CYSLTR2CYSLTR1FFAR1BCHEMEN1
SCHEMBL2109172 0.73 VDR (0.41) CYSLTR2CYSLTR1FFAR1BCHE
SCHEMBL2107789 0.73 MRGPRX4 (0.44) CYSLTR2CYSLTR1FFAR1BCHEALOX5
SCHEMBL6156678 0.72 HMGCR (0.45) KDM4ESMN1; SMN2
SCHEMBL6156685 0.72 HMGCR (0.45) KDM4ESMN1; SMN2
SCHEMBL6155242 0.72 VDR (0.44) CYSLTR2CYSLTR1FFAR1BCHE

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 2 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