SCHEMBL21115852

SCHEMBL21115852

C=C(C)C(=O)OCCCCCNC(=O)OCC1(C)CC2CC(C1)C1CC(C)(COC(=O)NCCCCCOC(=O)C(=C)C)CCC21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ACHE P22303 12/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EPHX2 P34913 4/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL21115827 0.99 TSHR (0.34) TSHRACHEMEN1KMT2AL3MBTL1
SCHEMBL21116147 0.96 TSHR (0.32) TSHRACHEMEN1KMT2AL3MBTL1
SCHEMBL21115847 0.96 MEN1 (0.33) TSHRMEN1KMT2AL3MBTL1
SCHEMBL21115851 0.95 TSHR (0.33) TSHRACHE
SCHEMBL21115991 0.95 TSHR (0.34) TSHRACHEMEN1KMT2AL3MBTL1
SCHEMBL21115821 0.94 TSHR (0.32) TSHR
SCHEMBL21115818 0.93 TSHR (0.30) TSHR
SCHEMBL21115953 0.92 MEN1 (0.34) MEN1KMT2AL3MBTL1
SCHEMBL21115863 0.90
SCHEMBL21115870 0.86 TSHR (0.36) TSHRACHEMEN1KMT2AL3MBTL1

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-2741728-B1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2019-06-26 EP disclosed