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Sugi Predict / Compounds / SCHEMBL29584427

SCHEMBL29584427

SCHEMBL29584427

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.71
▸ GNRHR P30968 3/20 0.65
▸ ABCC2 Q92887 1/20 0.64
▸ NMBR P28336 2/20 0.54
▸ GRPR P30550 2/20 0.54
▸ C5AR1 P21730 2/20 0.54
▸ F2 P00734 1/20 0.50

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
SCHEMBL30199069 0.96 PTGS1 (0.72) PTGS1GNRHRABCC2NMBRGRPR
SCHEMBL29833884 0.96 PTGS1 (0.75) PTGS1GNRHRABCC2NMBRGRPR
SCHEMBL29833831 0.96 PTGS1 (0.75) PTGS1GNRHRABCC2NMBRGRPR
SCHEMBL29833863 0.96 PTGS1 (0.75) PTGS1GNRHRABCC2NMBRGRPR
SCHEMBL29833848 0.96 PTGS1 (0.75) PTGS1GNRHRABCC2NMBRGRPR
SCHEMBL29833875 0.96 PTGS1 (0.75) PTGS1GNRHRABCC2NMBRGRPR
SCHEMBL29833876 0.96 PTGS1 (0.75) PTGS1GNRHRABCC2NMBRGRPR
SCHEMBL29833867 0.96 PTGS1 (0.66) PTGS1GNRHRABCC2NMBRGRPR
Gonadorelin SCHEMBL7378993 0.94 PTGS1 (0.71) PTGS1GNRHRABCC2NMBRGRPR
Gonadorelin SCHEMBL143114 0.94 PTGS1 (0.71) PTGS1GNRHRABCC2NMBRGRPR

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-114324669-B Pre-column chiral derivatization determination method for L-arginine residue in salmon gonadotrophin releasing hormone analogue 宁波第二激素厂 2023-11-14 — — CN disclosed
CN-114324669-A Method for determining L-arginine residue in salmon gonadotropin-releasing hormone analogue by pre-column chiral derivatization 宁波第二激素厂 2022-04-12 — — CN disclosed
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