SCHEMBL29951037

SCHEMBL29951037

CCN(CCC=O)CCOC

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL10017660 0.84 ALDH1A1 (0.45) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL2760168 0.82 KMT2A (0.41) MEN1KMT2APOLBALDH1A1
SCHEMBL3929668 0.81 MEN1 (0.37) MEN1KMT2APOLBALDH1A1
SCHEMBL445535 0.79
SCHEMBL3318173 0.79 ADH1B (0.40) MEN1KMT2APOLBALDH1A1
SCHEMBL5167080 0.78 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL1283318 0.77 ALDH1A1 (0.43) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL1284275 0.77 ALDH1A1 (0.43) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL1408760 0.77
SCHEMBL3314754 0.76 ADH1B (0.44) MEN1KMT2APOLBALDH1A1TSHR

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