SCHEMBL6564904

SCHEMBL6564904

CCC(=CC=CC(O)(C(F)(F)F)C(F)(F)F)c1cc(COc2ccc(C(O)O)cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.47
FFAR1 O14842 3/20 0.33
PPARG P37231 1/20 0.30

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
SCHEMBL6563165 0.89 VDR (0.44) VDRFFAR1
SCHEMBL6564343 0.86 VDR (0.46) VDR
SCHEMBL6563015 0.84 VDR (0.64) VDR
SCHEMBL6563021 0.84 VDR (0.64) VDR
SCHEMBL6564909 0.84 VDR (0.64) VDR
SCHEMBL6562855 0.83 VDR (0.47) VDR
SCHEMBL6564795 0.82 VDR (0.42) VDRFFAR1
SCHEMBL3280129 0.78 VDR (0.72) VDR
SCHEMBL6564119 0.77 VDR (0.37) VDR
SCHEMBL6566528 0.77 FFAR1 (0.31) FFAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP claimed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US claimed
EP-1235824-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP claimed
WO-2001038320-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO claimed
EP-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed