SCHEMBL31445909

SCHEMBL31445909

CCC(NC(=O)CC(C)(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
GRN P28799 2/20 0.38
SORT1 Q99523 2/20 0.38
POLB P06746 1/20 0.38
NOD1 Q9Y239 1/20 0.38
MME P08473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL31445676 0.86 PIK3CD (0.44) MAPTGRNSORT1POLBNOD1
SCHEMBL19751451 0.85 HPGD (0.33) MAPTHPGDGAARAB9AGRN
SCHEMBL31446958 0.85 POLB (0.36) MAPTGRNSORT1POLBNOD1
SCHEMBL31447158 0.82 POLB (0.37) MAPTPOLBNOD1MMESMN1; SMN2
SCHEMBL12427376 0.82 CA2 (0.53) MAPTHPGDGAARAB9AGRN
SCHEMBL14009444 0.82 CA2 (0.53) MAPTHPGDGAARAB9AGRN
SCHEMBL13127074 0.82 MAPT (0.38) MAPTHPGDGAARAB9AGRN
SCHEMBL31446849 0.82 MEN1 (0.35) MAPTGRNSORT1POLBNOD1
SCHEMBL31445277 0.82 EGLN1 (0.37) MAPTGRNSORT1POLBNOD1
SCHEMBL31445682 0.82 TGFBR1 (0.36) MAPTGRNSORT1POLBNOD1

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-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed