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Sugi Predict / Compounds / SCHEMBL31461984

SCHEMBL31461984

SCHEMBL31461984

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 8/20 0.53
▸ F2 P00734 4/20 0.51
▸ EP300 Q09472 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ RAMP3 O60896 4/20 0.50
▸ CALCRL Q16602 2/20 0.50
▸ OPRD1 P41143 2/20 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
SCHEMBL31462091 0.95 F2 (0.54) CALCRF2OPRD1
SCHEMBL31461982 0.94 CALCRL (0.56) CALCREP300HIF1ACALCRLOPRD1
SCHEMBL31462040 0.94 CALCR (0.54) CALCRF2EP300HIF1ACALCRL
SCHEMBL31462075 0.94 CALCR (0.54) CALCRF2EP300HIF1ACALCRL
SCHEMBL31462082 0.93 OPRD1 (0.54) F2EP300HIF1ACALCRLOPRD1
SCHEMBL31461996 0.93 CALCR (0.55) CALCRF2CALCRL
SCHEMBL31462109 0.91 OPRD1 (0.54) CALCRF2EP300HIF1AOPRD1
SCHEMBL31461883 0.90 OPRD1 (0.54) CALCRF2OPRD1
SCHEMBL31461892 0.90 CALCR (0.53) CALCREP300HIF1ARAMP3
SCHEMBL31462127 0.89 EP300 (0.48) CALCREP300HIF1ARAMP3CALCRL

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-20250113828-A1 METHOD OF USING/APPLYING A KERATIN HYDROLYSIS PEPTIDE SOLUTION TO IMPROVE THE FERTILIZER USAGE EFFICIENCY IN COTTON CH BIOTECH R&D CO., LTD. (TW) 2025-04-10 — — US disclosed
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