SCHEMBL6564905

SCHEMBL6564905

CCC(O)(CC)c1csc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.51
ALOX5 P09917 6/20 0.39
MAOB P27338 3/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
FFAR1 O14842 1/20 0.36
NR4A2 P43354 2/20 0.35
NR4A1 P22736 1/20 0.35
NR4A3 Q92570 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 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
SCHEMBL27587218 0.90 VDR (0.42) VDRALOX5MAOBFFAR1
SCHEMBL7042563 0.89 VDR (0.42) VDRALOX5MAOBMRGPRX4FFAR1
SCHEMBL6564607 0.85 VDR (0.57) VDRMAOBMRGPRX4FFAR1NR4A2
SCHEMBL6564158 0.83 VDR (0.52) VDRFFAR1
SCHEMBL6562865 0.81 VDR (0.61) VDRMAOBFFAR1NR4A2NR4A1
SCHEMBL6564937 0.80 VDR (0.52) VDRALOX5MAOBMRGPRX4NR4A2
SCHEMBL6564106 0.79 VDR (0.58) VDRMAOBFFAR1NR4A2NR4A1
SCHEMBL7608339 0.78 VDR (0.42) VDRALOX5MAOBMRGPRX4FFAR1
SCHEMBL7608336 0.78 VDR (0.42) VDRALOX5MRGPRX4FFAR1
SCHEMBL6564194 0.78 VDR (0.50) VDRMRGPRX4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed
CN-1423627-A Vitamin D analogues GALDERMA RES & DEV (FR) 2003-06-11 CN 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
CN-1423627-A Vitamin D analogues GALDERMA RES & DEV (FR) 2003-06-11 CN 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