SCHEMBL31461971

SCHEMBL31461971

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.47
▸ NTSR1 P30989 13/20 0.46
▸ NTSR2 O95665 12/20 0.46
▸ SORT1 Q99523 10/20 0.46
▸ CALCRL Q16602 4/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ RAMP1 O60894 1/20 0.43

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
SCHEMBL31462055 1.00 XIAP (0.47) XIAPNTSR1NTSR2SORT1CALCRL
SCHEMBL31462019 0.96 XIAP (0.52) XIAPNTSR1NTSR2SORT1CALCRL
SCHEMBL31461974 0.95 CAPN1 (0.47) XIAPNTSR1NTSR2SORT1CALCRL
SCHEMBL31461896 0.95 CAPN1 (0.47) XIAPNTSR1NTSR2SORT1CALCRL
SCHEMBL31462086 0.94 CAPN1 (0.48) XIAPNTSR1NTSR2SORT1CALCRL
SCHEMBL31462028 0.93 NTSR2 (0.48) XIAPNTSR1NTSR2SORT1CALCRL
SCHEMBL31462033 0.92 NPY2R (0.46) NTSR1NTSR2SORT1PTPN1
SCHEMBL31461980 0.92 NPY2R (0.46) NTSR1NTSR2SORT1PTPN1
SCHEMBL31462068 0.90 CAPN1 (0.49) NTSR1NTSR2SORT1CALCRL
SCHEMBL31461939 0.89 REN (0.51) NTSR1NTSR2SORT1PTPN1

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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