SCHEMBL29952827

SCHEMBL29952827

CC(C)NC(=O)CN(C)CC=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MEN1 O00255 7/20 0.36
KMT2A Q03164 7/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
CTSK P43235 1/20 0.35
ALDH1A1 P00352 5/20 0.35
RXFP1 Q9HBX9 1/20 0.34
GAA P10253 2/20 0.34
VHL P40337 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL23475900 0.83 MEN1 (0.43) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL29955601 0.81 TSHR (0.35) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL20314934 0.81 CTSK (0.34) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL20334416 0.79 TSHR (0.33) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL29953519 0.78 ALDH1A1 (0.44) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL29951830 0.78 OPRM1 (0.36) ALDH1A1LMNA
SCHEMBL22035847 0.78 MEN1 (0.44) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL23735816 0.76 MEN1 (0.34) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL17190627 0.76 KMT2A (0.38) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL20314932 0.76 MEN1 (0.38) TSHRMEN1KMT2AFAAHMAPK1

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