SCHEMBL8720447

SCHEMBL8720447

CCCCCCOc1ccc2c(ccc3nc(OCCCC)ccc32)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
TLR8 Q9NR97 2/20 0.43
NR5A1 Q13285 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
SOAT1 P35610 1/20 0.42
LTA4H P09960 1/20 0.42
PLA2G4B P0C869 1/20 0.41
NCF1 P14598 1/20 0.41
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCB11 O95342 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SCN1A P35498 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL8722621 1.00 MAPT (0.44) MAPTTLR8NR5A1TP53TSHR
SCHEMBL7884138 1.00 MAPT (0.44) MAPTTLR8NR5A1TP53TSHR
SCHEMBL8724270 1.00 MAPT (0.44) MAPTTLR8NR5A1TP53TSHR
SCHEMBL8723222 1.00 MAPT (0.44) MAPTTLR8NR5A1TP53TSHR
SCHEMBL8720596 0.98 LTA4H (0.43) MAPTTLR8NR5A1TP53TSHR
SCHEMBL8719437 0.98 TLR8 (0.44) MAPTTLR8NR5A1TP53TSHR
SCHEMBL8724277 0.98 TLR8 (0.44) MAPTTLR8NR5A1TP53TSHR
SCHEMBL8722630 0.98 TLR8 (0.44) MAPTTLR8NR5A1TP53TSHR
SCHEMBL8720278 0.98 TLR8 (0.44) MAPTTLR8NR5A1TP53TSHR
SCHEMBL8722611 0.98 TLR8 (0.44) MAPTTLR8NR5A1TP53TSHR

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