SCHEMBL21158798

SCHEMBL21158798

COc1ccc(C(OCC2CCC(C)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 7/20 0.43
SLC6A1 P30531 3/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TYMP P19971 1/20 0.39
KIF11 P52732 2/20 0.38
KCNH2 Q12809 1/20 0.38
SLC6A12 P48065 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NPY2R P49146 1/20 0.36

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
SCHEMBL27414176 1.00 SLC6A11 (0.43) SLC6A11SLC6A1MEN1KMT2ATYMP
SCHEMBL27414202 0.92 SLC6A11 (0.38) SLC6A11SLC6A1MEN1KMT2ATYMP
SCHEMBL6995537 0.85 L3MBTL1 (0.45) SLC6A11SLC6A1MEN1KMT2ATYMP
SCHEMBL27056605 0.82 MEN1 (0.57) SLC6A11SLC6A1MEN1KMT2ATYMP
SCHEMBL2567526 0.82 MEN1 (0.57) SLC6A11SLC6A1MEN1KMT2ATYMP
SCHEMBL2567523 0.82 MEN1 (0.57) SLC6A11SLC6A1MEN1KMT2ATYMP
SCHEMBL12515630 0.80 HPGD (0.48) SLC6A11SLC6A1MEN1KMT2ASLC6A12
SCHEMBL13190443 0.79 SLC6A11 (0.40) SLC6A11SLC6A1MEN1KMT2ATYMP
SCHEMBL13329987 0.77 TYMP (0.45) SLC6A11SLC6A1MEN1KMT2ATYMP
SCHEMBL13255807 0.77 TYMP (0.45) SLC6A11SLC6A1MEN1KMT2ATYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024129748-A1 RNAi AGENT WITH MODIFIED NUCLEOTIDES ELI LILLY AND COMPANY (US) 2024-06-20 WO disclosed
EP-3234132-B1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS DICERNA PHARMACEUTICALS INC (US) 2019-07-10 EP disclosed