SCHEMBL31229004

SCHEMBL31229004

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

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 4/20 0.62
▸ KISS1R Q969F8 10/20 0.58
▸ ECE1 P42892 5/20 0.57
▸ IL1RN P18510 3/20 0.57
▸ ERAP1 Q9NZ08 2/20 0.57
▸ ACE P12821 1/20 0.54

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
SCHEMBL28664025 0.98 ECE1 (0.59) ERAP2KISS1RECE1IL1RNERAP1
SCHEMBL28664028 0.98 ECE1 (0.59) ERAP2KISS1RECE1IL1RNERAP1
SCHEMBL30522762 0.98 ECE1 (0.58) ERAP2KISS1RECE1IL1RNERAP1
SCHEMBL29794156 0.94 ERAP2 (0.55) ERAP2KISS1RECE1IL1RNERAP1
SCHEMBL30044908 0.94 KISS1R (0.61) ERAP2KISS1RIL1RN
SCHEMBL31232571 0.94 KISS1R (0.59) ERAP2KISS1RECE1IL1RNERAP1
SCHEMBL30092942 0.94 NPBWR1 (0.57) ERAP2KISS1R
SCHEMBL30517760 0.94 ERAP2 (0.59) ERAP2KISS1RECE1IL1RNERAP1
SCHEMBL29532500 0.94 KISS1R (0.57) ERAP2KISS1RECE1
SCHEMBL30436748 0.93 KISS1R (0.60) KISS1RECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118725019-A Method for screening antioxidant peptide by using biochar 长沙理工大学 2024-10-01 — — CN disclosed
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