SCHEMBL29802241

SCHEMBL29802241

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 11/20 0.53
▸ BACE2 Q9Y5Z0 4/20 0.53
▸ CTSD P07339 1/20 0.51
▸ GNPAT O15228 1/20 0.49
▸ FOLH1 Q04609 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ENPEP Q07075 5/20 0.47

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
SCHEMBL6534663 0.94 GNPAT (0.54) BACE1BACE2CTSDGNPATENPEP
SCHEMBL31378167 0.92 GNPAT (0.48) BACE1BACE2CTSDGNPATFOLH1
SCHEMBL14008770 0.89 ALDH1A1 (0.63) GNPATFOLH1ALDH1A1
SCHEMBL31634368 0.87 KDM4E (0.51) BACE1BACE2CTSDGNPATFOLH1
SCHEMBL29802264 0.86 TASP1 (0.51) BACE1BACE2CTSD
SCHEMBL7166591 0.86 GNPAT (0.48) BACE1BACE2GNPATENPEP
SCHEMBL22310788 0.85 GNPAT (0.47) BACE1BACE2CTSDGNPATENPEP
SCHEMBL15765356 0.85 ALDH1A1 (0.69) GNPATFOLH1ALDH1A1
SCHEMBL29112234 0.84 ALDH1A1 (0.68) GNPATFOLH1ALDH1A1
SCHEMBL29808461 0.84 ALDH1A1 (0.68) GNPATFOLH1ALDH1A1

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-12133720-B2 Methods and compositions for restoring homeostatic capacity of a subject Palo Alto Investors LP (US) 2024-11-05 — — US disclosed
WO-2022190064-A1 METHODS FOR IDENTIFYING SUBJECTS WITH BETACORONAVIRUS INFECTIONS WHO ARE AT RISK OF ACUTE RESPIRATORY SYNDROME AND METHODS FOR THE TREATMENT OF SAME VEXO PHARMACEUTICALS DMCC (AE) 2022-09-15 — — WO disclosed
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