SCHEMBL29689307

SCHEMBL29689307

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 17/20 0.45
▸ BACE2 Q9Y5Z0 4/20 0.45
▸ CTSD P07339 2/20 0.44
▸ APLNR P35414 1/20 0.40
▸ FNTA P49354 2/20 0.39
▸ FNTB P49356 2/20 0.39

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
SCHEMBL31756925 0.89 PTPN1 (0.40) BACE1BACE2CTSDAPLNR
SCHEMBL30167454 0.89 ERAP2 (0.45) BACE1BACE2CTSD
SCHEMBL29519342 0.87 APLNR (0.40) BACE1BACE2CTSDAPLNR
SCHEMBL31471617 0.87 BACE1 (0.45) BACE1BACE2CTSD
SCHEMBL30320554 0.86 BACE1 (0.51) BACE1BACE2CTSD
SCHEMBL29881596 0.86 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL30476106 0.86 BACE1 (0.49) BACE1BACE2CTSD
SCHEMBL30688995 0.86 BACE1 (0.45) BACE1BACE2CTSD
SCHEMBL29833346 0.85 PTPN1 (0.45) BACE1BACE2CTSD
SCHEMBL7599777 0.85 ERAP2 (0.44) BACE1BACE2CTSD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143871-A Polypeptide prepared from pricklyash seed protein 中国科学院兰州化学物理研究所 2023-05-23 — — CN claimed
CN-114671961-A Cistanche deserticola composition with antioxidant effect 内蒙古大漠魂生物科技有限公司 2022-06-28 — — CN claimed
CN-116143871-A Polypeptide prepared from pricklyash seed protein 中国科学院兰州化学物理研究所 2023-05-23 — — CN disclosed
CN-114671961-A Cistanche deserticola composition with antioxidant effect 内蒙古大漠魂生物科技有限公司 2022-06-28 — — CN disclosed
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