SCHEMBL29531532

SCHEMBL29531532

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

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ LAP3 P28838 2/20 0.38

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
SCHEMBL30728878 0.94 MME (0.43) MMELTA4HLAP3
SCHEMBL29531330 0.94 MME (0.44) MMELTA4HLAP3
SCHEMBL1666827 0.94 MME (0.44) MMELTA4HLAP3
SCHEMBL1666829 0.94 MME (0.44) MMELTA4HLAP3
SCHEMBL30254481 0.94 MME (0.42) MMELTA4H
SCHEMBL34470345 0.93 MME (0.42) MMELTA4HLAP3
Water SCHEMBL29559377 0.93 MME (0.44) MMELTA4HLAP3
SCHEMBL29442611 0.92 MME (0.41) MMELTA4HLAP3
SCHEMBL30449517 0.92 MME (0.40) MMELTA4H
SCHEMBL29380915 0.92 OPRK1 (0.41) —

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
Send feedback