SCHEMBL6562865

SCHEMBL6562865

CCC(O)(CC)c1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.61
FFAR1 O14842 11/20 0.41
FFAR4 Q5NUL3 1/20 0.38
MAOB P27338 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
DGAT2 Q96PD7 1/20 0.35

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
SCHEMBL6563025 0.92 VDR (0.58) VDRFFAR1FFAR4
SCHEMBL6565020 0.89 VDR (0.48) VDRFFAR1FFAR4MAOBNR4A1
SCHEMBL6562993 0.89 VDR (0.65) VDRFFAR1FFAR4MAOBNR4A2
SCHEMBL6564106 0.89 VDR (0.58) VDRFFAR1MAOBPDE4APDE4B
SCHEMBL6564158 0.87 VDR (0.52) VDRFFAR1FFAR4
SCHEMBL6564607 0.87 VDR (0.57) VDRFFAR1MAOBNR4A1NR4A2
SCHEMBL6564192 0.85 VDR (0.68) VDRFFAR1MAOB
SCHEMBL6563016 0.84 VDR (0.80) VDRFFAR1MAOB
SCHEMBL27587223 0.84 VDR (0.43) VDRFFAR1FFAR4MAOBPDE4A
SCHEMBL7614670 0.83 VDR (0.46) VDRFFAR1FFAR4MAOB

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