SCHEMBL30786579

SCHEMBL30786579

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)CC

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.48
▸ OPRM1 P35372 3/20 0.46
▸ OPRD1 P41143 3/20 0.46
▸ F2RL1 P55085 1/20 0.44
▸ CCKAR P32238 1/20 0.44
▸ CCKBR P32239 1/20 0.44
▸ LTA4H P09960 1/20 0.44

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
SCHEMBL30786587 0.86 FNTA (0.53) OPRM1OPRD1
SCHEMBL30051371 0.85 MME (0.58) LTA4H
SCHEMBL29732398 0.85 LTA4H (0.56) LTA4H
SCHEMBL29350276 0.84 ACE (0.57) CTSD
SCHEMBL30839325 0.84 CCKAR (0.51) CTSDOPRM1OPRD1CCKARCCKBR
SCHEMBL30839330 0.84 CCKAR (0.51) CTSDOPRM1OPRD1CCKARCCKBR
SCHEMBL30051601 0.83 FNTA (0.55) LTA4H
SCHEMBL30051184 0.83 FNTA (0.52) CTSDLTA4H
SCHEMBL11061679 0.83 CTSD (0.57) CTSDOPRM1OPRD1
SCHEMBL11061687 0.83 CTSD (0.57) CTSDOPRM1OPRD1

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-117815402-A Coupling medicine of targeting STAT3 protein and application thereof 国家纳米科学中心 2024-04-05 — — CN claimed
CN-117815402-A Coupling medicine of targeting STAT3 protein and application thereof 国家纳米科学中心 2024-04-05 — — CN disclosed
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