SCHEMBL8038263

SCHEMBL8038263

CCCCCCCCOc1ccc(-c2nc(-c3ccc(O)cc3O)nc(-c3ccc(O)cc3O)n2)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.59
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LTA4H P09960 2/20 0.53
PTPN11 Q06124 3/20 0.48
CNR2 P34972 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
PLA2G4B P0C869 1/20 0.46
ALDH2 P05091 1/20 0.46

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
SCHEMBL29364526 0.96 NR5A1 (0.60) NR5A1MEN1NPC1ALDH1A1GAA
SCHEMBL29502795 0.96 NR5A1 (0.60) NR5A1MEN1NPC1ALDH1A1GAA
SCHEMBL14814837 0.96 NR5A1 (0.60) NR5A1MEN1NPC1ALDH1A1GAA
SCHEMBL999167 0.96 NR5A1 (0.60) NR5A1MEN1NPC1ALDH1A1GAA
SCHEMBL7972017 0.96 NR5A1 (0.60) NR5A1MEN1NPC1ALDH1A1GAA
SCHEMBL77484 0.96 NR5A1 (0.60) NR5A1MEN1NPC1ALDH1A1GAA
SCHEMBL16258157 0.96 MAPT (0.60) NR5A1MEN1NPC1ALDH1A1GAA
SCHEMBL29502758 0.96 NR5A1 (0.60) NR5A1MEN1NPC1ALDH1A1GAA
SCHEMBL13021253 0.91 NPC1 (0.56) NR5A1MEN1NPC1ALDH1A1GAA
SCHEMBL5468226 0.90 NR5A1 (0.49) NR5A1MEN1NPC1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6011180-A Acid-stable borates for photopolymerization CIBA SPECIALTY CHEMICALS CORPORATION 2000-01-04 US disclosed