SCHEMBL6682500

SCHEMBL6682500

c1ccc(C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.54
HRH4 Q9H3N8 1/20 0.38
KCNN4 O15554 2/20 0.36
DUT P33316 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 1/20 0.34
CHRM2 P08172 1/20 0.34
TK2 O00142 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL8571973 0.81 KIF11 (0.54) KIF11HRH4KCNN4DUTMAPK1
SCHEMBL4544073 0.79 KIF11 (0.52) KIF11HRH4KCNN4DUTMAPK1
SCHEMBL5872334 0.79 KIF11 (0.52) KIF11HRH4KCNN4DUTMAPK1
SCHEMBL8850056 0.79 KIF11 (0.52) KIF11HRH4KCNN4DUTMAPK1
SCHEMBL7001869 0.77 KIF11 (0.44) KIF11KCNN4MAPK1TSHRALDH1A1
SCHEMBL11275984 0.77 KIF11 (0.74) KIF11HRH4KCNN4DUTMAPK1
SCHEMBL30124105 0.76 KIF11 (0.48) KIF11HRH4KCNN4DUTMAPK1
SCHEMBL238217 0.73 KIF11 (0.41) KIF11KCNN4MAPK1TSHRALDH1A1
SCHEMBL11248540 0.73 KIF11 (0.41) KIF11KCNN4MAPK1TSHRALDH1A1
SCHEMBL9614597 0.73 ALDH1A1 (0.44) KIF11KCNN4MAPK1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474432-A1 IMMUNOSTIMULATORY, COVALENTLY LIPIDATED OLIGONUCLEOTIDES Biomira Inc. (CA) 2004-11-10 EP disclosed
WO-2003066649-A1 IMMUNOSTIMULATORY, COVALENTLY LIPIDATED OLIGONUCLEOTIDES BIOMIRA INC. (CA) 2003-08-14 WO disclosed
EP-0191659-A1 Derivatives of adenosine nucleosides, their preparation and their biological use INSTITUT PASTEUR (FR) 1986-08-20 EP disclosed
EP-0124561-A1 PROCESS FOR PRODUCING OLIGONUCLEOSIDE PHOSPHONATES. KOSTER HUBERT 1984-11-14 EP disclosed
WO-1984001778-A1 PROCESS FOR PRODUCING OLIGONUCLEOSIDE PHOSPHONATES KOESTER HUBERT (DE) 1984-05-10 WO disclosed