SCHEMBL31338418

SCHEMBL31338418

CC(C)(C)OC(=O)NNCc1cccc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CCR2 P41597 1/20 0.40
▸ LCK P06239 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SCN9A Q15858 2/20 0.37
▸ GLS O94925 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ APLNR P35414 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ KDM4A O75164 1/20 0.36

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
SCHEMBL14076727 0.86 CCR2 (0.41) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL20098837 0.84 CDK5 (0.44) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL465792 0.83 CCR2 (0.42) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL4076010 0.83 CHRNB2 (0.51) CCR2LCKSCN9ANR3C2CHRNB2
SCHEMBL30396325 0.83 CCR2 (0.42) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL13141093 0.83 CCR2 (0.41) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL24143765 0.83 L3MBTL1 (0.46) NPC1RAB9ACCR2
SCHEMBL2827164 0.82 GLS (0.42) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL21198393 0.82 CCR2 (0.42) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL1022260 0.82 GLS (0.42) GAAMEN1NPC1RAB9AKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739658-A1 SYNTHESIS OF PYRUVATE KINASE ACTIVATORS Agios Pharmaceuticals, Inc. (US) 2026-05-13 — — EP disclosed
WO-2025010390-A1 SYNTHESIS OF PYRUVATE KINASE ACTIVATORS AGIOS PHARMACEUTICALS, INC. (US) 2025-01-09 — — WO disclosed
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