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SCHEMBL29730643

SCHEMBL29730643

C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.56
▸ RAMP3 O60896 1/20 0.55
▸ CALCR P30988 1/20 0.55
▸ OPRM1 P35372 2/20 0.54
▸ OPRD1 P41143 2/20 0.54
▸ EPHA2 P29317 2/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ NMUR2 Q9GZQ4 4/20 0.53
▸ NMUR1 Q9HB89 4/20 0.53
▸ CALCRL Q16602 1/20 0.53
▸ IL23R Q5VWK5 1/20 0.52
▸ C5AR1 P21730 1/20 0.52

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
SCHEMBL29678292 0.88 KEAP1 (0.58) KEAP1OPRM1OPRD1EPHA2SLC6A2
SCHEMBL29627571 0.88 KEAP1 (0.59) KEAP1RAMP3CALCROPRM1OPRD1
SCHEMBL29730557 0.88 SLC6A2 (0.59) KEAP1OPRM1OPRD1SLC6A2NMUR2
SCHEMBL29496464 0.87 KEAP1 (0.59) KEAP1RAMP3CALCROPRM1OPRD1
SCHEMBL29678305 0.86 IL23R (0.59) KEAP1RAMP3CALCROPRM1OPRD1
SCHEMBL29658856 0.86 CALCRL (0.58) KEAP1CALCRLIL23RC5AR1
SCHEMBL29993928 0.86 NMUR2 (0.51) KEAP1OPRM1OPRD1EPHA2NMUR2
SCHEMBL31683362 0.85 RAMP3 (0.64) KEAP1RAMP3CALCREPHA2NMUR2
SCHEMBL29860140 0.85 RAMP3 (0.60) RAMP3CALCROPRM1OPRD1EPHA2
SCHEMBL31191386 0.85 MAPK8 (0.56) KEAP1RAMP3CALCROPRD1NMUR2

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
EP-4255469-A1 ACYLATED SINGLE-CHAIN INSULIN ANALOGUES CASE WESTERN RESERVE UNIVERSITY (US) 2023-10-11 — — EP disclosed
WO-2022125587-A9 ACYLATED SINGLE-CHAIN INSULIN ANALOGUES CASE WESTERN RESERVE UNIVERSITY (US) 2022-07-21 — — WO disclosed
WO-2022125587-A1 ACYLATED SINGLE-CHAIN INSULIN ANALOGUES CASE WESTERN RESERVE UNIVERSITY (US) 2022-06-16 — — WO disclosed
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