SCHEMBL8555881

SCHEMBL8555881

CCCCCCOc1ccc2nc(-c3ccc(CCCCCC)cc3)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.53
ATP4B P51164 4/20 0.53
APP P05067 7/20 0.49
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
SULT1A1 P50225 1/20 0.46
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44

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
SCHEMBL5946646 0.99 ATP4A (0.54) ATP4AATP4BAPPGLAGAA
SCHEMBL5831354 0.93 ATP4A (0.54) ATP4AATP4BAPPSULT1A1MEN1
SCHEMBL5946619 0.93 ATP4A (0.56) ATP4AATP4BAPPGLAGAA
SCHEMBL8555420 0.93 ATP4A (0.56) ATP4AATP4BAPPGLAGAA
SCHEMBL8550820 0.93 ATP4A (0.56) ATP4AATP4BAPPGLAGAA
SCHEMBL3724320 0.93 ATP4A (0.60) ATP4AATP4BAPPGLAGAA
SCHEMBL5053235 0.93 ATP4A (0.60) ATP4AATP4BAPPGLAGAA
SCHEMBL8557251 0.91 ATP4A (0.56) ATP4AATP4BAPPGLAGAA
SCHEMBL5832555 0.88 ATP4A (0.49) ATP4AATP4BAPPSULT1A1MEN1
SCHEMBL5946763 0.86 APP (0.51) APPGLAGAAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440061-B1 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KK (JP) 1998-04-01 EP disclosed
US-5284599-A Benzothiazole with alkyl group having asymmetric carbon connected to halogen; improved response CANON KABUSHIKI KAISHA (JP) 1994-02-08 US disclosed
US-5236619-A Benzothiazoles CANON KABUSHIKI KAISHA (JP) 1993-08-17 US disclosed
EP-0440061-A1 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KABUSHIKI KAISHA (JP) 1991-08-07 EP disclosed