SCHEMBL29532207

SCHEMBL29532207

CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](N)[C@H](C)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.41
LTA4H P09960 1/20 0.39
LAP3 P28838 2/20 0.39

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
SCHEMBL3750881 0.93 MME (0.41) MMELTA4HLAP3
SCHEMBL3750892 0.93 MME (0.41) MMELTA4HLAP3
Threonine SCHEMBL28512021 0.93 MME (0.38) MMELTA4H
SCHEMBL29374335 0.91 ACE (0.36) MME
SCHEMBL21828612 0.91 ACE (0.36) MME
SCHEMBL29757021 0.90 MME (0.42) MMELTA4HLAP3
SCHEMBL34470345 0.90 MME (0.42) MMELTA4HLAP3
SCHEMBL7163147 0.90 BACE1 (0.42)
SCHEMBL7163139 0.90 BACE1 (0.42)
SCHEMBL30658572 0.89 ERAP2 (0.40) MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230393140-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2023-12-07 US disclosed
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