SCHEMBL29531747

SCHEMBL29531747

C[C@H](O)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1)C(=O)NCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 3/20 0.45
▸ CALCRL Q16602 1/20 0.43
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ PRCP P42785 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.37
▸ KDM1A O60341 2/20 0.36
▸ RAMP3 O60896 5/20 0.35
▸ CALCR P30988 5/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL30686002 0.91 MAPK8 (0.42) KEAP1CALCRLMAPK8MAPK9MAPK10
SCHEMBL29590531 0.90 MAPK8 (0.48) KEAP1CALCRLMAPK8MAPK9MAPK10
SCHEMBL29924267 0.90 PRCP (0.41) KEAP1PRCPDPP7MEN1KMT2A
SCHEMBL29548137 0.90 PRCP (0.41) KEAP1PRCPDPP7MEN1KMT2A
SCHEMBL30686003 0.87 MAPK8 (0.48) KEAP1CALCRLMAPK8MAPK9MAPK10
SCHEMBL30686004 0.87 MAPK8 (0.48) KEAP1CALCRLMAPK8MAPK9MAPK10
SCHEMBL29980620 0.86 PRCP (0.39) KEAP1CALCRLMAPK8MAPK9MAPK10
SCHEMBL30974174 0.86 KDM1A (0.38) KEAP1MAPK8MAPK9MAPK10PRCP
SCHEMBL30686009 0.86 MAPK8 (0.49) KEAP1MAPK8MAPK9MAPK10PRCP
SCHEMBL31720924 0.86 PRCP (0.41) KEAP1CALCRLMAPK8MAPK9MAPK10

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-4229211-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI International (US) 2023-08-23 — — EP disclosed
WO-2022082006-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2022-04-21 — — WO disclosed
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