SCHEMBL6564829

SCHEMBL6564829

CC(C)(O)c1cccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.50
MRGPRX4 Q96LA9 2/20 0.41
MAOB P27338 3/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
NR4A2 P43354 2/20 0.40
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
PKM P14618 1/20 0.39
F2 P00734 1/20 0.39
APP P05067 1/20 0.38
PTGER4 P35408 1/20 0.38
ALOX5 P09917 1/20 0.38
BCL2 P10415 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL6566409 0.92 VDR (0.49) VDRMRGPRX4MAOBNR4A2NR4A1
SCHEMBL6565020 0.88 VDR (0.48) VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL6563099 0.84 VDR (0.49) VDRMRGPRX4MAOBNR4A2F2
SCHEMBL6564607 0.82 VDR (0.57) VDRMRGPRX4MAOBNR4A2NR4A1
SCHEMBL6562899 0.80 VDR (0.53) VDRMRGPRX4NR4A2F2PTGER4
SCHEMBL6565057 0.80 VDR (0.53) VDRMRGPRX4MAOBNR4A2F2
SCHEMBL7609494 0.79 VDR (0.49) VDRMRGPRX4MAOBNR4A2F2
SCHEMBL6564158 0.78 VDR (0.52) VDRFFAR1
SCHEMBL6564194 0.78 VDR (0.50) VDRMRGPRX4F2PTGER4FFAR1
SCHEMBL7613338 0.77 VDR (0.44) VDRMRGPRX4NR4A2F2PTGER4

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
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