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Sugi Predict / Compounds / SCHEMBL30436173

SCHEMBL30436173

SCHEMBL30436173

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 7/20 0.59
▸ CXCR4 P61073 1/20 0.58
▸ GLP1R P43220 5/20 0.58
▸ GCGR P47871 5/20 0.58
▸ GIPR P48546 5/20 0.58
▸ KEAP1 Q14145 1/20 0.58
▸ EP300 Q09472 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ F2 P00734 4/20 0.57
▸ RAMP3 O60896 3/20 0.56

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
SCHEMBL29943968 0.90 CALCR (0.60) CALCRGLP1RGCGRGIPRKEAP1
SCHEMBL30495660 0.89 CALCR (0.58) CALCRCXCR4F2
SCHEMBL31182944 0.88 CALCR (0.60) CALCRCXCR4GLP1RGCGRGIPR
SCHEMBL30862320 0.88 CALCR (0.68) CALCRF2RAMP3
SCHEMBL30906561 0.88 NPY2R (0.65) CALCRCXCR4GLP1RRAMP3
SCHEMBL30658270 0.87 CALCR (0.71) CALCRGLP1RGCGRGIPRKEAP1
SCHEMBL31148886 0.87 CALCR (0.70) CALCREP300HIF1AF2RAMP3
SCHEMBL30262103 0.87 F2 (0.60) CALCREP300HIF1AF2RAMP3
SCHEMBL29649214 0.87 NPY2R (0.62) CALCRKEAP1RAMP3
SCHEMBL31182767 0.87 CALCR (0.67) CALCRGLP1RGCGRGIPRKEAP1

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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