SCHEMBL3280657

SCHEMBL3280657

CCC(=CC=CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(CCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VDR P11473 8/20 0.71
LTB4R Q15722 2/20 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
SCHEMBL18986362 0.89 VDR (0.68) VDRLTB4R
SCHEMBL3280250 0.87 VDR (0.53) VDRLTB4R
SCHEMBL3280129 0.84 VDR (0.72) VDR
SCHEMBL3278412 0.83 VDR (1.00) VDR
SCHEMBL3278410 0.83 VDR (1.00) VDR
SCHEMBL3280656 0.83 VDR (1.00) VDR
SCHEMBL6563038 0.82 VDR (0.49) VDR
SCHEMBL20585596 0.82 VDR (0.79) VDR
SCHEMBL19020878 0.80 VDR (0.56) VDRLTB4R
SCHEMBL6564343 0.80 VDR (0.46) VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 US disclosed
EP-1395538-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2009-12-30 EP disclosed
US-20040224929-A1 Novel vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-11 US disclosed
EP-1395538-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-03-10 EP disclosed
WO-2002094754-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2002-11-28 WO disclosed