SCHEMBL29684075

SCHEMBL29684075

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 4/20 0.58
▸ EDNRA P25101 1/20 0.55
▸ KISS1R Q969F8 3/20 0.54
▸ BACE1 P56817 6/20 0.51
▸ IL1RN P18510 3/20 0.51
▸ ERAP1 Q9NZ08 3/20 0.51
▸ BACE2 Q9Y5Z0 2/20 0.51
▸ CTSD P07339 1/20 0.51
▸ NPBWR1 P48145 1/20 0.51
▸ GHSR Q92847 2/20 0.50
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ ECE1 P42892 2/20 0.49

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
SCHEMBL30874407 0.94 ERAP2 (0.58) ERAP2KISS1RIL1RNERAP1NPBWR1
SCHEMBL29856017 0.94 ERBB2 (0.57) ERAP2KISS1RBACE1CTSDNPBWR1
SCHEMBL29531497 0.91 ERAP2 (0.61) ERAP2IL1RNERAP1GHSRECE1
SCHEMBL31004384 0.91 ERAP2 (0.61) ERAP2IL1RNERAP1GHSRECE1
SCHEMBL29855839 0.90 ERAP2 (0.60) ERAP2EDNRAKISS1RBACE1IL1RN
SCHEMBL30199174 0.90 NPBWR1 (0.57) ERAP2KISS1RNPBWR1
SCHEMBL30929763 0.90 ERAP2 (0.58) ERAP2EDNRAKISS1RIL1RNERAP1
SCHEMBL30929767 0.90 ERAP2 (0.58) ERAP2EDNRAKISS1RIL1RNERAP1
SCHEMBL31556110 0.90 EDNRA (0.62) ERAP2EDNRACTSBCTSK
SCHEMBL30130563 0.89 GHSR (0.59) GHSRECE1

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
CN-114656531-B Hexapeptide with antioxidant activity and application thereof 华南理工大学 2023-05-23 — — CN disclosed
CN-114656531-A Hexapeptide with antioxidant activity and application thereof 华南理工大学 2022-06-24 — — CN disclosed
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