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SCHEMBL31119241

SCHEMBL31119241

CC(C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(N)=O)[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 8/20 0.53
▸ GLP1R P43220 6/20 0.52
▸ GRPR P30550 1/20 0.52
▸ NR3C1 P04150 2/20 0.52
▸ GCGR P47871 1/20 0.51
▸ KEAP1 Q14145 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
SCHEMBL29484311 0.92 GLP1R (0.56) IL23RGLP1RGRPRNR3C1GCGR
SCHEMBL30338573 0.92 GLP1R (0.54) IL23RGLP1RGRPRNR3C1GCGR
SCHEMBL30064553 0.89 GLP1R (0.58) IL23RGLP1RGRPR
SCHEMBL30208638 0.89 GLP1R (0.57) IL23RGLP1RGCGR
SCHEMBL29484320 0.89 IL23R (0.53) IL23RGLP1RGRPRGCGRKEAP1
SCHEMBL29484313 0.88 NPBWR1 (0.55) IL23RGLP1RGRPRNR3C1GCGR
SCHEMBL29434537 0.87 GLP1R (0.57) IL23RGLP1RGRPR
SCHEMBL30208639 0.86 GLP1R (0.60) IL23RGLP1RGCGR
SCHEMBL30183034 0.86 GLP1R (0.55) IL23RGLP1RGRPR
SCHEMBL30932143 0.86 GLP1R (0.60) GLP1RKEAP1

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
EP-4683964-A2 POLY(ETHYLENE GLYCOL) BASED DENDRIMER-LIKE HYPERBRANCHED MACROMOLECULES, METHODS OF PREPARATION AND USE THEREOF Ocular Therapeutix, Inc. (US) 2026-01-28 — — EP disclosed
WO-2024197137-A2 POLY(ETHYLENE GLYCOL) BASED DENDRIMER-LIKE HYPERBRANCHED MACROMOLECULES, METHODS OF PREPARATION AND USE THEREOF OCULAR THERAPEUTIX, INC. (US) 2024-09-26 — — WO disclosed
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