Sugi Predict

Sugi Predict / Compounds / SCHEMBL30722283

SCHEMBL30722283

SCHEMBL30722283

CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.48
▸ CTSB P07858 1/20 0.43
▸ CALCRL Q16602 4/20 0.43
▸ XIAP P98170 1/20 0.42
▸ NTSR1 P30989 5/20 0.42
▸ NTSR2 O95665 3/20 0.42
▸ SORT1 Q99523 3/20 0.42
▸ OPRD1 P41143 1/20 0.41
▸ EP300 Q09472 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CALCR P30988 1/20 0.41
▸ PTPN1 P18031 1/20 0.41

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
SCHEMBL30574975 0.86 MAPK8 (0.47) CALCRLNTSR1OPRD1CALCRPTPN1
SCHEMBL31461843 0.86 OPRD1 (0.54) NTSR1OPRD1
SCHEMBL31461965 0.85 EP300 (0.46) CAPN1NTSR1OPRD1EP300HIF1A
SCHEMBL30571124 0.84 XIAP (0.48) CAPN1CTSBCALCRLXIAPNTSR1
SCHEMBL29566910 0.84 ELANE (0.48) CAPN1CTSBXIAP
SCHEMBL30432915 0.83 CALCRL (0.50) CALCRLEP300HIF1ACALCR
SCHEMBL31461901 0.83 CALCR (0.52) CALCR
SCHEMBL31461848 0.83 CALCR (0.53) CALCR
SCHEMBL30579780 0.83 NTSR1 (0.43) XIAPNTSR1NTSR2SORT1OPRD1
SCHEMBL31462127 0.83 EP300 (0.48) CALCRLEP300HIF1ACALCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024239730-A1 CLOSTRIDIUM-DERIVED QUORUM SENSING PEPTIDE, PREPARATION METHOD AND USE 大连理工大学 2024-11-28 — — WO disclosed
WO-2024239730-A1 CLOSTRIDIUM-DERIVED QUORUM SENSING PEPTIDE, PREPARATION METHOD AND USE 大连理工大学 2024-11-28 — — WO disclosed
CN-116970037-A Quorum sensing peptide derived from clostridium, preparation method and application 大连理工大学 2023-10-31 — — CN disclosed
CN-116970037-A Quorum sensing peptide derived from clostridium, preparation method and application 大连理工大学 2023-10-31 — — CN disclosed
Send feedback