SCHEMBL21901402

SCHEMBL21901402

CC(C)(C)C(=O)OCc1ccc(NC=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ROCK2 O75116 1/20 0.41
ELANE P08246 1/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 2/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
PTPRB P23467 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
LMNA P02545 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL27305897 0.83 ELANE (0.52) MEN1KMT2ASMN1; SMN2L3MBTL1ELANE
SCHEMBL18792766 0.82 ELANE (0.46) MEN1KMT2ASMN1; SMN2L3MBTL1ROCK2
SCHEMBL22990404 0.82 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL23420957 0.81 KMT2A (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1ROCK2
SCHEMBL12157064 0.81 KMT2A (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1ROCK2
SCHEMBL24541057 0.81 MEN1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1ROCK2
SCHEMBL24240506 0.80 KMT2A (0.42) MEN1KMT2ASMN1; SMN2L3MBTL1ROCK2
SCHEMBL19502636 0.79 ROCK2 (0.41) MEN1KMT2ASMN1; SMN2L3MBTL1ROCK2
SCHEMBL21120303 0.79 KMT2A (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1ROCK2
SCHEMBL19503127 0.79 MAPT (0.41) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT

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-2020081744-A1 IMMUNOMODULATING POLYNUCLEOTIDE CONJUGATES AND METHODS OF USE TOLLNINE, INC. (US) 2020-04-23 WO disclosed