SCHEMBL6564524

SCHEMBL6564524

Cc1ccc(OCc2ccc(CO)c(CO)c2)cc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.47
RORC P51449 3/20 0.41
S1PR1 P21453 2/20 0.35
S1PR5 Q9H228 2/20 0.35
PRKD3 O94806 1/20 0.35
CDK7 P50613 1/20 0.35
JAK3 P52333 1/20 0.35
TNK2 Q07912 1/20 0.35
ALOX5 P09917 1/20 0.33
MAOB P27338 6/20 0.32
FFAR1 O14842 2/20 0.32
PPARD Q03181 2/20 0.32
PPARG P37231 1/20 0.32
MAOA P21397 3/20 0.32
MLYCD O95822 1/20 0.31
PDGFRA P16234 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL6566698 0.88 VDR (0.62) VDRS1PR1S1PR5PRKD3CDK7
SCHEMBL4894574 0.85 VDR (0.66) VDRRORCS1PR1S1PR5PRKD3
SCHEMBL4881083 0.81 VDR (0.61) VDRRORCS1PR1S1PR5PRKD3
SCHEMBL6565119 0.81 VDR (0.48) VDRRORCFFAR1PPARDPPARG
SCHEMBL2857595 0.79 VDR (0.74) VDRS1PR1S1PR5PRKD3CDK7
SCHEMBL27568064 0.78 VDR (0.51) VDRRORCFFAR1PPARD
SCHEMBL6564192 0.77 VDR (0.68) VDRS1PR1S1PR5PRKD3CDK7
SCHEMBL4884277 0.76 VDR (0.79) VDRRORC
SCHEMBL6576788 0.75 VDR (0.76) VDRRORC
SCHEMBL6564164 0.75 VDR (0.77) VDRS1PR1S1PR5PRKD3CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US claimed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP claimed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO claimed
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US disclosed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed
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