SCHEMBL6565119

SCHEMBL6565119

COc1ccc(OCc2ccc(CO)c(CO)c2)cc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.48
RORC P51449 2/20 0.38
FFAR1 O14842 6/20 0.37
PPARD Q03181 4/20 0.36
CETP P11597 1/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
FFAR2 O15552 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34
TUBA1A Q71U36 2/20 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
SCHEMBL6564116 0.87 VDR (0.64) VDRFFAR1PPARDCETPTUBB4A
SCHEMBL6564524 0.81 VDR (0.47) VDRRORCFFAR1PPARDPPARG
SCHEMBL4894574 0.81 VDR (0.66) VDRRORCPPARDPPARGPPARA
SCHEMBL4884277 0.78 VDR (0.79) VDRRORC
SCHEMBL4881083 0.77 VDR (0.61) VDRRORCPPARDPPARGPPARA
SCHEMBL6564192 0.76 VDR (0.68) VDRFFAR1PPARDMRGPRX4
SCHEMBL6576788 0.76 VDR (0.76) VDRRORC
SCHEMBL6563016 0.76 VDR (0.80) VDRFFAR1
SCHEMBL4891356 0.74 VDR (0.73) VDRRORC
SCHEMBL6564865 0.73 VDR (0.64) VDRFFAR1

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
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