SCHEMBL29956065

SCHEMBL29956065

CC#CCN(C)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.36
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
MVD P53602 1/20 0.33
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
ACE P12821 1/20 0.33
SLC6A9 P48067 2/20 0.33
BHMT Q93088 1/20 0.33
CHRM2 P08172 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ADRA2A P08913 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL6563296 0.76
SCHEMBL29952584 0.74
SCHEMBL600245 0.74
SCHEMBL22061 0.74 TDP1 (0.47) HIF1ATDP1MVDEYA2APP
SCHEMBL9978293 0.74 CHRM1 (0.33) TDP1EYA2APPACECHRM2
SCHEMBL6550670 0.72 TDP1 (0.45) HIF1ATDP1MVDEYA2APP
SCHEMBL6323180 0.72 TDP1 (0.45) HIF1ATDP1MVDEYA2APP
SCHEMBL28873500 0.72 TDP1 (0.45) HIF1ATDP1MVDEYA2APP
SCHEMBL6518392 0.72 TDP1 (0.45) HIF1ATDP1MVDEYA2APP
SCHEMBL28410047 0.72 TDP1 (0.45) HIF1ATDP1MVDEYA2APP

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed