SCHEMBL29129574

SCHEMBL29129574

CC(C)(C)OC(=O)NNC(C)(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.41
GAA P10253 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.38
CTSK P43235 5/20 0.37
CTSS P25774 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
DGAT1 O75907 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
BTK Q06187 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 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
SCHEMBL5073789 0.79 APLNR (0.44) APLNRGAAMEN1KMT2ANPC1
SCHEMBL284141 0.78 APLNR (0.55) APLNRGAAMEN1KMT2ANPC1
SCHEMBL7828286 0.78 DGAT1 (0.41) APLNRGAAMEN1KMT2ANPC1
SCHEMBL29129601 0.78 APLNR (0.41) APLNRGAAMEN1KMT2ANPC1
SCHEMBL29129533 0.78 APLNR (0.41) APLNRGAAMEN1KMT2ANPC1
SCHEMBL76832 0.77 KDM4C (0.41) APLNRGAAMEN1KMT2ACTSK
SCHEMBL30739254 0.76 APLNR (0.40) APLNRGAAMEN1KMT2ANPC1
SCHEMBL29129551 0.76 APLNR (0.40) APLNRGAAMEN1KMT2ANPC1
SCHEMBL29129523 0.76 APLNR (0.41) APLNRGAAMEN1KMT2ACTSK
SCHEMBL21834933 0.76 KDM4C (0.39) APLNRGAAMEN1KMT2ACTSK

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
CN-117247338-A N-amino-alpha-amino acid compound and synthesis method thereof 四川大学 2023-12-19 CN disclosed