SCHEMBL6155464

SCHEMBL6155464

CC/C(=C\C=C\C(O)(CC)CC)c1cc(O)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.40
PTGS1 P23219 1/20 0.39
MAOB P27338 1/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
NR1H4 Q96RI1 2/20 0.36
CHRNA7 P36544 3/20 0.36
BACE1 P56817 2/20 0.35
APP P05067 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
SIRT1 Q96EB6 1/20 0.34
EGFR P00533 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 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
SCHEMBL6155472 1.00 VDR (0.40) VDRPTGS1MAOBALDH1A1GAA
SCHEMBL6155469 1.00 VDR (0.40) VDRPTGS1MAOBALDH1A1GAA
SCHEMBL6156382 0.79 NR1H4 (0.44) ALDH1A1NR1H4CHRNA7BACE1APP
SCHEMBL6156379 0.79 NR1H4 (0.44) ALDH1A1NR1H4CHRNA7BACE1APP
SCHEMBL6155229 0.77 VDR (0.47) VDRMAOBALDH1A1TUBB1MAPT
SCHEMBL6155221 0.77 VDR (0.68) VDRTUBB1HPGDSMN1; SMN2
SCHEMBL6886676 0.76 MAOB (0.49) MAOBALDH1A1NR1H4CHRNA7BACE1
SCHEMBL6886681 0.76 MAOB (0.49) MAOBALDH1A1NR1H4CHRNA7BACE1
SCHEMBL18986283 0.66 VDR (0.56) VDRPTGS1ALDH1A1GAAMAPT
SCHEMBL18986268 0.66 VDR (0.56) VDRPTGS1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed