SCHEMBL22508683

SCHEMBL22508683

C#CCNC(=O)N(C)CCSCCC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.33
HSD17B10 Q99714 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
SCHEMBL9186585 0.74 KMT2A (0.50) MEN1KMT2ATSHRHSD17B10
SCHEMBL5282142 0.74 HSD17B10 (0.46) MEN1KMT2ATSHRHSD17B10
SCHEMBL112204 0.72 TSHR (0.63) MEN1KMT2ATSHRHSD17B10
SCHEMBL15282755 0.70 TSHR (0.60) MEN1KMT2ATSHRHSD17B10
SCHEMBL16487277 0.68 MAPT (0.43) MEN1KMT2ATSHRHSD17B10
SCHEMBL2735600 0.66 ALDH1A1 (0.42) MEN1KMT2ATSHRHSD17B10
SCHEMBL23987762 0.66 TSHR (0.54) MEN1KMT2ATSHRHSD17B10
SCHEMBL579015 0.65 HSD17B10 (0.64) MEN1KMT2ATSHRHSD17B10
SCHEMBL10606947 0.65 TSHR (0.52) MEN1KMT2ATSHRHSD17B10
SCHEMBL1736007 0.65 TSHR (0.52) MEN1KMT2ATSHRHSD17B10

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
EP-3030545-B1 AMINO ACID DERIVATIVES MEDIMMUNE LTD (GB) 2020-10-07 EP disclosed