SCHEMBL8720596

SCHEMBL8720596

CCCCCOc1ccc2c(ccc3nc(OCCCC)ccc32)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
MAPT P10636 2/20 0.42
TLR8 Q9NR97 3/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
ABCB11 O95342 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GHSR Q92847 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41

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
SCHEMBL8720447 0.98 MAPT (0.44) LTA4HMAPTTLR8ALDH1A1LMNA
SCHEMBL8723222 0.98 MAPT (0.44) LTA4HMAPTTLR8ALDH1A1LMNA
SCHEMBL8724270 0.98 MAPT (0.44) LTA4HMAPTTLR8ALDH1A1LMNA
SCHEMBL7884138 0.98 MAPT (0.44) LTA4HMAPTTLR8ALDH1A1LMNA
SCHEMBL8722621 0.98 MAPT (0.44) LTA4HMAPTTLR8ALDH1A1LMNA
SCHEMBL8720154 0.98 TLR8 (0.43) LTA4HMAPTTLR8ALDH1A1LMNA
SCHEMBL8719437 0.96 TLR8 (0.44) LTA4HMAPTTLR8CYP2D6NR5A1
SCHEMBL8720128 0.96 TLR8 (0.44) LTA4HMAPTTLR8CYP2D6NR5A1
SCHEMBL8722611 0.96 TLR8 (0.44) LTA4HMAPTTLR8CYP2D6NR5A1
SCHEMBL8724277 0.96 TLR8 (0.44) LTA4HMAPTTLR8CYP2D6NR5A1

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
EP-0839173-A1 FERROELECTRIC LIQUID CRYSTAL MIXTURE Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) 1998-05-06 EP disclosed