SCHEMBL7042563

SCHEMBL7042563

CCC(O)(CC)c1csc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)c1.CCC(O)c1cc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)cs1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.42
ALOX5 P09917 4/20 0.33
MRGPRX4 Q96LA9 2/20 0.32
FFAR1 O14842 2/20 0.31
MAOB P27338 3/20 0.31
PPARD Q03181 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
NR4A2 P43354 1/20 0.30

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
SCHEMBL6564905 0.89 VDR (0.51) VDRALOX5MRGPRX4FFAR1MAOB
SCHEMBL6562934 0.89 VDR (0.43) VDRALOX5MRGPRX4FFAR1MAOB
SCHEMBL27587218 0.80 VDR (0.42) VDRALOX5FFAR1MAOBPPARD
SCHEMBL6564607 0.77 VDR (0.57) VDRMRGPRX4FFAR1MAOBNR4A2
SCHEMBL6564158 0.76 VDR (0.52) VDRFFAR1
SCHEMBL7608339 0.75 VDR (0.42) VDRALOX5MRGPRX4FFAR1MAOB
SCHEMBL6562943 0.74 FFAR1 (0.40) ALOX5MRGPRX4FFAR1MAOB
SCHEMBL7608336 0.73 VDR (0.42) VDRALOX5MRGPRX4FFAR1
SCHEMBL6562865 0.72 VDR (0.61) VDRFFAR1MAOBNR4A2
SCHEMBL6564937 0.71 VDR (0.52) VDRALOX5MRGPRX4MAOBPPARD

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 1 patent. 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