SCHEMBL30596170

SCHEMBL30596170

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 7/20 0.64
▸ IL1RN P18510 6/20 0.55
▸ ERAP1 Q9NZ08 5/20 0.55
▸ KISS1R Q969F8 3/20 0.54
▸ MMP1 P03956 1/20 0.53
▸ GRPR P30550 1/20 0.53
▸ IL23R Q5VWK5 3/20 0.53
▸ CCKBR P32239 4/20 0.51
▸ CCKAR P32238 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
SCHEMBL31462103 0.88 GLP1R (0.58) ERAP2KISS1RIL23R
SCHEMBL30883266 0.88 ERBB2 (0.63) GRPRIL23R
SCHEMBL29477913 0.87 MAGI3 (0.61) ERAP2
SCHEMBL30596084 0.87 IL23R (0.64) KISS1RIL23R
SCHEMBL30596173 0.87 IL23R (0.65) KISS1RIL23R
SCHEMBL30382016 0.86 PRMT1 (0.57) ERAP2KISS1RIL23R
SCHEMBL31720351 0.86 ERAP2 (0.69) ERAP2IL1RNERAP1
SCHEMBL30563262 0.85 MAGI3 (0.54) ERAP2CCKBRCCKAR
SCHEMBL20764526 0.85 ERAP2 (0.70) ERAP2IL1RNERAP1KISS1RMMP1
SCHEMBL30918496 0.84 ERAP2 (0.63) ERAP2IL1RNERAP1MMP1GRPR

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-116804045-A Polypeptide targeting HPV16E6 protein and preparation method and application thereof 东南大学 2023-09-26 — — CN claimed
CN-116804045-A Polypeptide targeting HPV16E6 protein and preparation method and application thereof 东南大学 2023-09-26 — — CN disclosed
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