SCHEMBL6564865

SCHEMBL6564865

CCC(O)(CC)c1ccc(-c2cc(OCc3ccc(CO)c(CO)c3)ccc2C(C)(C)C)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.64
MAOB P27338 2/20 0.35
FFAR1 O14842 8/20 0.33
NR4A2 P43354 2/20 0.32
NR4A1 P22736 1/20 0.32
NR4A3 Q92570 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
APP P05067 1/20 0.32
S1PR1 P21453 2/20 0.31
S1PR5 Q9H228 2/20 0.31
PRKD3 O94806 1/20 0.31
CDK7 P50613 1/20 0.31
JAK3 P52333 1/20 0.31
TNK2 Q07912 1/20 0.31
PDGFRA P16234 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL6564192 0.90 VDR (0.68) VDRMAOBFFAR1S1PR1S1PR5
SCHEMBL6566261 0.89 VDR (0.63) VDRMAOBFFAR1NR4A2NR4A1
SCHEMBL6563016 0.89 VDR (0.80) VDRMAOBFFAR1S1PR1S1PR5
SCHEMBL6564116 0.86 VDR (0.64) VDRFFAR1S1PR1
SCHEMBL6562993 0.85 VDR (0.65) VDRMAOBFFAR1NR4A2
SCHEMBL27587224 0.84 VDR (0.46) VDRMAOBFFAR1NR4A2NR4A1
SCHEMBL6564164 0.83 VDR (0.77) VDRMAOBFFAR1S1PR1S1PR5
SCHEMBL6564928 0.82 VDR (0.64) VDRMAOBFFAR1S1PR1S1PR5
SCHEMBL6562865 0.82 VDR (0.61) VDRMAOBFFAR1NR4A2NR4A1
SCHEMBL2854911 0.81 VDR (0.88) VDRMAOBNR4A2NR4A1NR4A3

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