SCHEMBL30452563

SCHEMBL30452563

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 4/20 0.57
▸ CALCRL Q16602 5/20 0.55
▸ AGTR2 P50052 3/20 0.52
▸ AGTR1 P30556 2/20 0.52
▸ KDM1A O60341 2/20 0.50
▸ OPRM1 P35372 3/20 0.49
▸ OPRK1 P41145 3/20 0.49
▸ KEAP1 Q14145 1/20 0.48

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
SCHEMBL29450645 0.96 EPHA2 (0.57) EPHA2CALCRLKDM1AOPRM1OPRK1
SCHEMBL29450647 0.91 EPHA2 (0.56) EPHA2CALCRLAGTR2AGTR1KDM1A
SCHEMBL9551264 0.86 EPHA2 (0.60) EPHA2CALCRLKDM1AOPRM1OPRK1
SCHEMBL9691456 0.86 EPHA2 (0.61) EPHA2CALCRLAGTR2AGTR1KDM1A
SCHEMBL9551316 0.86 EPHA2 (0.59) EPHA2CALCRLAGTR2AGTR1
SCHEMBL30689267 0.85 OPRK1 (0.59) OPRM1OPRK1
SCHEMBL29531760 0.85 CALCRL (0.53) EPHA2CALCRLOPRM1KEAP1
SCHEMBL9691462 0.84 EPHA2 (0.59) EPHA2CALCRLAGTR2AGTR1KDM1A
SCHEMBL30658563 0.84 EPHA2 (0.59) EPHA2CALCRLOPRM1OPRK1KEAP1
SCHEMBL18176610 0.84 OPRK1 (0.63) OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213506-B Anti-angiogenesis and anti-tumor active peptide derived from ginseng as well as preparation method and application thereof 大连深蓝肽科技研发有限公司 2023-07-25 — — CN claimed
CN-114213506-B Anti-angiogenesis and anti-tumor active peptide derived from ginseng as well as preparation method and application thereof 大连深蓝肽科技研发有限公司 2023-07-25 — — CN disclosed
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