SCHEMBL6566409

SCHEMBL6566409

CC(C)(O)c1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.49
MRGPRX4 Q96LA9 2/20 0.43
NR4A2 P43354 2/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
FFAR1 O14842 2/20 0.41
MAOB P27338 4/20 0.41
PTGER4 P35408 1/20 0.40
BCL2 P10415 1/20 0.39
SLC13A5 Q86YT5 1/20 0.39
SMPD1 P17405 1/20 0.39
GSTP1 P09211 1/20 0.39
F2 P00734 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRB P23467 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 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
SCHEMBL6564829 0.92 VDR (0.50) VDRMRGPRX4NR4A2NR4A1NR4A3
SCHEMBL6564607 0.88 VDR (0.57) VDRMRGPRX4NR4A2NR4A1NR4A3
SCHEMBL6565020 0.86 VDR (0.48) VDRNR4A2NR4A1NR4A3FFAR1
SCHEMBL6562899 0.84 VDR (0.53) VDRMRGPRX4NR4A2FFAR1PTGER4
SCHEMBL6563099 0.83 VDR (0.49) VDRMRGPRX4NR4A2FFAR1MAOB
SCHEMBL7613338 0.81 VDR (0.44) VDRMRGPRX4NR4A2FFAR1PTGER4
SCHEMBL6565057 0.79 VDR (0.53) VDRMRGPRX4NR4A2FFAR1MAOB
SCHEMBL6564194 0.79 VDR (0.50) VDRMRGPRX4FFAR1PTGER4SLC13A5
SCHEMBL6562865 0.78 VDR (0.61) VDRNR4A2NR4A1NR4A3FFAR1
SCHEMBL7609494 0.78 VDR (0.49) VDRMRGPRX4NR4A2FFAR1MAOB

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