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Sugi Predict / Compounds / SCHEMBL30534079

SCHEMBL30534079

SCHEMBL30534079

CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.59
▸ C5AR1 P21730 2/20 0.56
▸ CTSL P07711 3/20 0.52
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CTSH P09668 1/20 0.52
▸ CALCR P30988 3/20 0.51
▸ OPRM1 P35372 2/20 0.50
▸ OPRK1 P41145 2/20 0.50
▸ GLP1R P43220 1/20 0.49
▸ GCGR P47871 1/20 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
SCHEMBL30534078 0.89 APLNR (0.47) APLNRC5AR1GLP1RGCGR
SCHEMBL29934240 0.88 APLNR (0.61) APLNRCTSLCTSSCTSKCTSH
SCHEMBL31574325 0.87 C5AR1 (0.68) APLNRC5AR1CALCRGLP1RGCGR
SCHEMBL31386983 0.86 C5AR1 (0.58) C5AR1CALCR
SCHEMBL31717961 0.86 APLNR (0.69) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL30262145 0.86 MC4R (0.59) APLNRC5AR1CALCRGLP1RGCGR
SCHEMBL30974277 0.86 C5AR1 (0.62) APLNRC5AR1OPRM1OPRK1
SCHEMBL31072934 0.85 C5AR1 (0.60) APLNRC5AR1CALCROPRM1
SCHEMBL29662252 0.85 C5AR1 (0.66) APLNRC5AR1CALCR
SCHEMBL30457594 0.84 APLNR (0.59) APLNRC5AR1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372414-B Fluorescent probe for detecting ochratoxin A and preparation method thereof 长春理工大学 2023-07-21 — — CN claimed
CN-113372414-B Fluorescent probe for detecting ochratoxin A and preparation method thereof 长春理工大学 2023-07-21 — — CN disclosed
CN-113372414-B Fluorescent probe for detecting ochratoxin A and preparation method thereof 长春理工大学 2023-07-21 — — CN disclosed
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