SCHEMBL2554918

SCHEMBL2554918

O=CC1CCN(CC(=O)NCC(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL2559213 0.83 HPGD (0.38) TLR9TLR8TLR7ALDH1A1SIGMAR1
SCHEMBL27731632 0.80 HTT (0.41) ALDH1A1HTTSMN1; SMN2GAASIGMAR1
SCHEMBL29953615 0.78 SMN1; SMN2 (0.41) TLR9TLR8TLR7ALDH1A1HTT
SCHEMBL2928831 0.77 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2GAAKDM4ETDP1
SCHEMBL2556051 0.77 ALDH1A1 (0.46) TLR9TLR8TLR7ALDH1A1HTT
SCHEMBL2561710 0.77 PKM (0.50) ALDH1A1HTTSMN1; SMN2GAAKDM4E
SCHEMBL2561158 0.76 TLR9 (0.39) TLR9TLR8TLR7ALDH1A1HTT
SCHEMBL29951726 0.76 HTT (0.39) TLR9TLR8TLR7ALDH1A1HTT
SCHEMBL15331209 0.76 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2GAASIGMAR1
SCHEMBL2560665 0.76 HTT (0.39) ALDH1A1HTTSMN1; SMN2GAASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed