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SCHEMBL30435652

SCHEMBL30435652

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.61
▸ OPRL1 P41146 4/20 0.60
▸ GLP1R P43220 4/20 0.59
▸ VIPR1 P32241 1/20 0.58

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
SCHEMBL29461368 0.93 BACE1 (0.60) TFPIOPRL1
SCHEMBL31683259 0.92 TFPI (0.64) TFPIVIPR1
SCHEMBL29373682 0.91 TFPI (0.68) TFPIGLP1RVIPR1
SCHEMBL31000935 0.91 TFPI (0.65) TFPIGLP1RVIPR1
SCHEMBL31182918 0.90 TFPI (0.64) TFPIGLP1RVIPR1
SCHEMBL30721553 0.90 TFPI (0.66) TFPIGLP1RVIPR1
SCHEMBL30120636 0.90 TFPI (0.66) TFPIGLP1RVIPR1
SCHEMBL30712875 0.90 TFPI (0.62) TFPIOPRL1
SCHEMBL31000924 0.89 TFPI (0.64) TFPIGLP1RVIPR1
SCHEMBL30271991 0.89 TFPI (0.66) TFPIGLP1RVIPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167470-A1 METHOD AND STRAINS FOR REDUCING BYPRODUCT SUCCINIC ACID IN FERMENTATION PROCESS OF L-MALIC ACID AND USE THEREOF Nanjing Haohe Biotechnology Co., Ltd. (CN) 2023-06-01 — — US disclosed
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