SCHEMBL6046284

SCHEMBL6046284

COc1ccc(C(OCCCC[O])(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 4/20 0.47
SLC6A1 P30531 2/20 0.47
KIF11 P52732 4/20 0.47
KCNH2 Q12809 1/20 0.47
TK1 P04183 1/20 0.43
TK2 O00142 5/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A12 P48065 1/20 0.42
SLC6A13 Q9NSD5 1/20 0.42

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
SCHEMBL6046282 0.98 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2TK1
SCHEMBL6046270 0.98 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2TK1
SCHEMBL1764229 0.95 SLC6A11 (0.48) SLC6A11SLC6A1KIF11KCNH2TK1
SCHEMBL16197752 0.86 KIF11 (0.50) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL5819858 0.85 KIF11 (0.47) SLC6A11SLC6A1KIF11KCNH2TK1
SCHEMBL16353449 0.85 KIF11 (0.61) SLC6A11SLC6A1KIF11KCNH2TK1
SCHEMBL5819943 0.85 KIF11 (0.47) SLC6A11SLC6A1KIF11KCNH2TK1
SCHEMBL8860350 0.85 SLC6A11 (0.47) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL18413416 0.85 KIF11 (0.47) SLC6A11SLC6A1KIF11KCNH2TK1
SCHEMBL28577719 0.84 PDE4B (0.52) SLC6A11SLC6A1KIF11KCNH2MEN1

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-20060193869-A1 Methods and compositions for induction or promotion of immune tolerance DYNAVAX TECHNOLOGIES CORPORATION 2006-08-31 US disclosed