SCHEMBL7775702

SCHEMBL7775702

CC/C(=C\C=C\C(O)(CC)CC)c1ccccc1OCc1ccc(CO)c(CO)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 5/20 0.67
PARP1 P09874 1/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
SGMS2 Q8NHU3 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABCB1 P08183 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
SCHEMBL6156364 0.89 VDR (0.65) VDRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL6156372 0.89 VDR (0.65) VDRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL6156359 0.89 VDR (0.65) VDRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL6155232 0.82 VDR (0.68) VDRSMN1; SMN2HPGD
SCHEMBL6155223 0.82 VDR (0.68) VDRSMN1; SMN2HPGD
SCHEMBL6155221 0.82 VDR (0.68) VDRSMN1; SMN2HPGD
SCHEMBL6156329 0.82 VDR (0.71) VDR
SCHEMBL6154807 0.82 VDR (0.71) VDR
SCHEMBL6154814 0.82 VDR (0.71) VDR
SCHEMBL6156335 0.82 VDR (0.71) VDR

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-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