SCHEMBL31479990

SCHEMBL31479990

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.46
▸ KEAP1 Q14145 3/20 0.43
▸ BACE1 P56817 7/20 0.43
▸ BACE2 Q9Y5Z0 2/20 0.43
▸ ENPEP Q07075 5/20 0.42
▸ CTSD P07339 1/20 0.42
▸ GLO1 Q04760 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
SCHEMBL31402734 0.92 NOD1 (0.46) FOLH1KEAP1ENPEPGLO1
SCHEMBL30099581 0.89 FOLH1 (0.45) FOLH1BACE1BACE2ENPEPCTSD
SCHEMBL30733222 0.86 FOLH1 (0.51) FOLH1
SCHEMBL30901015 0.85 NOD1 (0.48) FOLH1KEAP1BACE1ENPEPCTSD
SCHEMBL30901841 0.85 PTPN1 (0.46) FOLH1BACE1BACE2CTSDPTPN1
SCHEMBL30930160 0.85 NOD1 (0.48) FOLH1GLO1
SCHEMBL13594690 0.84 FOLH1 (0.60) FOLH1BACE1BACE2ENPEP
SCHEMBL4406472 0.84 FOLH1 (0.60) FOLH1BACE1BACE2ENPEP
SCHEMBL29630458 0.84 FOLH1 (0.60) FOLH1BACE1BACE2ENPEP
SCHEMBL31194150 0.84 FOLH1 (0.49) FOLH1BACE1BACE2GLO1PTPN1

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
US-20250123280-A1 LABEL-FREE DETECTION OF PROTEASE ACTIVITY UNIV OREGON HEALTH & SCIENCE (US) 2025-04-17 — — US claimed
US-20250123280-A1 LABEL-FREE DETECTION OF PROTEASE ACTIVITY UNIV OREGON HEALTH & SCIENCE (US) 2025-04-17 — — US disclosed
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