SCHEMBL7776993

SCHEMBL7776993

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.39
LMNA P02545 4/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PARP1 P09874 2/20 0.33
SGMS2 Q8NHU3 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
AKR1C1 Q04828 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 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
SCHEMBL7778336 1.00 VDR (0.39) VDRLMNAHTTMEN1KMT2A
SCHEMBL6155419 0.81 VDR (0.56) VDR
SCHEMBL6155436 0.81 VDR (0.56) VDR
SCHEMBL6155425 0.81 VDR (0.56) VDR
SCHEMBL6155265 0.78 VDR (0.55) VDR
SCHEMBL6155276 0.78 VDR (0.55) VDR
SCHEMBL6155282 0.78 VDR (0.55) VDR
SCHEMBL7777000 0.76 VDR (0.39) VDRLMNAHTTALDH1A1L3MBTL1
SCHEMBL7778326 0.75 VDR (0.38) VDRL3MBTL1MRGPRX4
SCHEMBL2783962 0.75 VDR (0.58) 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