SCHEMBL31019316

SCHEMBL31019316

CC(C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 17/20 0.62
▸ CTSD P07339 2/20 0.59
▸ BACE2 Q9Y5Z0 2/20 0.58
▸ FNTA P49354 1/20 0.53
▸ FNTB P49356 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL29350817 0.92 BACE1 (0.66) BACE1CTSDBACE2FNTAFNTB
SCHEMBL30607497 0.92 BACE1 (0.66) BACE1CTSDBACE2
SCHEMBL30001080 0.91 BACE1 (0.55) BACE1CTSDBACE2FNTAFNTB
SCHEMBL2980533 0.91 MME (0.57) BACE1
SCHEMBL5970186 0.91 MME (0.57) BACE1
SCHEMBL30117298 0.90 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL30567794 0.90 BACE1 (0.67) BACE1CTSDBACE2
SCHEMBL29532230 0.88 BACE1 (0.61) BACE1CTSDBACE2FNTAFNTB
SCHEMBL29350741 0.88 FNTA (0.56) BACE1CTSDBACE2FNTAFNTB
SCHEMBL8821945 0.88 MME (0.55) BACE1

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-20250339504-A1 CANCER VACCINE WITH USE OF COMMON CANCER ANTIGEN COCKTAIL, TCR/CAR-T CELL THERAPEUTIC, COMPANION DIAGNOSTIC METHOD, AND METHOD FOR DIAGNOSING RISK OF CANCER ONSET BY DETECTING CIRCULATING TUMOR CELLS NATIONAL CANCER CENTER (JP) 2025-11-06 — — US disclosed
WO-2024163874-A2 STABLE AND CONTROLLED RELEASE FORMULATIONS OF NEUREGULIN-4 ANALOGS AVEXEGEN THERAPEUTICS, INC. (US) 2024-08-08 — — WO disclosed
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