SCHEMBL29955601

SCHEMBL29955601

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
MEN1 O00255 7/20 0.34
KMT2A Q03164 7/20 0.34
FAAH O00519 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
CTSK P43235 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL29952827 0.81 TSHR (0.38) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL23475900 0.80 MEN1 (0.43) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL19000007 0.79 MEN1 (0.37) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL7721231 0.79 CA12 (0.39) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL18458618 0.79 MEN1 (0.46) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL29953331 0.79 ALDH1A1 (0.33) ALDH1A1HPGDLMNA
SCHEMBL29951451 0.79 ALDH1A1 (0.42) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL18596786 0.77 MEN1 (0.37) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL19309064 0.76 MEN1 (0.35) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL19254211 0.76 PRMT6 (0.37) 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