SCHEMBL7609504

SCHEMBL7609504

CCC(O)(CC)Cc1cccc(-c2cccc(OCc3ccc(CO)c(C(O)C(c4cccc(-c5cccc(OCc6ccc(CO)c(CO)c6)c5)c4)C(C)(C)O)c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.41
FFAR1 O14842 4/20 0.34
PPARD Q03181 1/20 0.34
ALOX5 P09917 1/20 0.32
NR4A2 P43354 1/20 0.32
F2 P00734 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
CTSA P10619 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CFD P00746 1/20 0.31
F11 P03951 1/20 0.31
TPSB2 P20231 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
SCHEMBL6565057 0.85 VDR (0.53) VDRFFAR1PPARDALOX5NR4A2
SCHEMBL7609494 0.83 VDR (0.49) VDRFFAR1PPARDALOX5NR4A2
SCHEMBL6562899 0.79 VDR (0.53) VDRFFAR1PPARDNR4A2F2
SCHEMBL6563099 0.77 VDR (0.49) VDRFFAR1PPARDNR4A2F2
SCHEMBL27568058 0.75 TSHR (0.46) VDRFFAR1PPARDNR4A2F2
SCHEMBL7608503 0.71 VDR (0.44) VDRFFAR1PPARDNR4A2F2
SCHEMBL6564829 0.70 VDR (0.50) VDRFFAR1ALOX5NR4A2F2
SCHEMBL6564607 0.69 VDR (0.57) VDRFFAR1NR4A2F2MRGPRX4
SCHEMBL6566409 0.69 VDR (0.49) VDRFFAR1NR4A2F2MRGPRX4
SCHEMBL2785501 0.68 VDR (0.49) VDRFFAR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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