SCHEMBL7604546

SCHEMBL7604546

CCCCC(O)c1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 10/20 0.40
PDCD1 Q15116 3/20 0.40
VDR P11473 2/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL7612422 0.84 CD274 (0.40) CD274PDCD1VDR
SCHEMBL7612427 0.82 CD274 (0.40) CD274PDCD1
SCHEMBL6564914 0.78 VDR (0.50) CD274PDCD1VDR
SCHEMBL7611585 0.77 VDR (0.42) VDRALOX5
SCHEMBL7606742 0.76 VDR (0.35) CD274PDCD1VDR
SCHEMBL7606748 0.75 VDR (0.35) CD274PDCD1VDR
SCHEMBL7606753 0.74 VDR (0.35) CD274PDCD1VDR
SCHEMBL7613344 0.74 RXRA (0.34) CD274PDCD1VDR
SCHEMBL7608281 0.73 FFAR1 (0.43)
SCHEMBL6563045 0.71 VDR (0.47) CD274PDCD1VDR

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-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed