SCHEMBL29531673

SCHEMBL29531673

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 6/20 0.45
▸ ERAP2 Q6P179 1/20 0.44
▸ BACE1 P56817 10/20 0.42
▸ BACE2 Q9Y5Z0 2/20 0.42
▸ CTSD P07339 1/20 0.41
▸ PTPN1 P18031 1/20 0.41

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
SCHEMBL31375132 1.00 FOLH1 (0.45) FOLH1ERAP2BACE1BACE2CTSD
SCHEMBL29939815 1.00 FOLH1 (0.45) FOLH1ERAP2BACE1BACE2CTSD
SCHEMBL29393322 0.97 BACE1 (0.46) FOLH1ERAP2BACE1BACE2CTSD
SCHEMBL30688995 0.94 BACE1 (0.45) FOLH1ERAP2BACE1BACE2CTSD
SCHEMBL7599777 0.93 ERAP2 (0.44) FOLH1ERAP2BACE1BACE2CTSD
SCHEMBL7599791 0.93 ERAP2 (0.44) FOLH1ERAP2BACE1BACE2CTSD
SCHEMBL29833409 0.92 ERAP2 (0.44) FOLH1ERAP2BACE1BACE2CTSD
SCHEMBL30728878 0.92 MME (0.43) —
SCHEMBL30274692 0.92 NAALAD2 (0.39) FOLH1ERAP2BACE1
SCHEMBL1666827 0.92 MME (0.44) —

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
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