SCHEMBL6564937

SCHEMBL6564937

CCC(O)(CC)c1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.52
MAOB P27338 2/20 0.36
FYN P06241 3/20 0.36
ALOX5 P09917 3/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
ACSS2 Q9NR19 2/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
PPARG P37231 1/20 0.34
NR1H2 P55055 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
NR1H3 Q13133 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL27587221 0.90 VDR (0.43) VDRMAOBFYNALOX5CYP4F2
SCHEMBL6564607 0.86 VDR (0.57) VDRMAOBNR4A1NR4A2NR4A3
SCHEMBL6562865 0.82 VDR (0.61) VDRMAOBNR4A1NR4A2NR4A3
SCHEMBL6564158 0.82 VDR (0.52) VDR
SCHEMBL6564905 0.80 VDR (0.51) VDRMAOBALOX5NR4A1NR4A2
SCHEMBL6564106 0.80 VDR (0.58) VDRMAOBNR4A1NR4A2NR4A3
SCHEMBL7605318 0.78 VDR (0.41) VDRFYNALOX5CYP4F2CYP4A11
SCHEMBL7605313 0.77 VDR (0.40) VDRFYNALOX5CYP4F2CYP4A11
SCHEMBL6566409 0.77 VDR (0.49) VDRMAOBNR4A1NR4A2NR4A3
SCHEMBL6564194 0.77 VDR (0.50) VDRMRGPRX4

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 7 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
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