SCHEMBL23877329

SCHEMBL23877329

NC(C=O)CCC(=O)NCCOCCO

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ CA12 O43570 4/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA4 P22748 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ CA14 Q9ULX7 4/20 0.35
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ GLP1R P43220 3/20 0.31
▸ TSHR P16473 2/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ GHSR Q92847 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
SCHEMBL23797092 0.91 GLP1R (0.31) MEN1KMT2ACA12CA1CA2
SCHEMBL3538740 0.87 MEN1 (0.39) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL15424356 0.80 SLC1A2 (0.43) KMT2A
SCHEMBL16309272 0.80 SLC1A2 (0.43) KMT2A
SCHEMBL26005443 0.80 MEN1 (0.37) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL3529941 0.78 TSHR (0.37) ALDH1A1TSHR
SCHEMBL4270081 0.78 TSHR (0.46) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL16349899 0.78 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL19431099 0.76 MEN1 (0.47) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL26740079 0.76 GLP1R (0.34) MEN1KMT2AALDH1A1GLP1R

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
WO-2021195307-A1 CORONAVIRUS IRNA COMPOSITIONS AND METHODS OF USE THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2021-09-30 — — WO disclosed
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