Sugi Predict

Sugi Predict / Compounds / SCHEMBL31452903

SCHEMBL31452903

SCHEMBL31452903

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 3/20 0.62
▸ NMUR2 Q9GZQ4 6/20 0.60
▸ NMUR1 Q9HB89 5/20 0.60
▸ RAMP3 O60896 1/20 0.57
▸ CALCR P30988 1/20 0.57
▸ KEAP1 Q14145 1/20 0.57
▸ TFPI P10646 3/20 0.57
▸ OPRM1 P35372 2/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ KDM1A O60341 1/20 0.55
▸ OPRK1 P41145 1/20 0.55

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
SCHEMBL31187483 0.93 NMUR2 (0.63) NMUR2NMUR1OPRM1OPRD1OPRK1
SCHEMBL31307220 0.92 NMUR2 (0.60) NMUR2NMUR1KEAP1OPRM1KDM1A
SCHEMBL30832038 0.90 EPHA2 (0.62) EPHA2NMUR2NMUR1TFPIKDM1A
SCHEMBL29554996 0.90 NMUR2 (0.65) EPHA2NMUR2NMUR1RAMP3CALCR
SCHEMBL30544090 0.90 OPRM1 (0.57) EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL29395807 0.89 KDM1A (0.64) EPHA2NMUR2NMUR1RAMP3CALCR
SCHEMBL30176453 0.89 NPY2R (0.64) TFPIKDM1A
SCHEMBL29973451 0.88 NMUR2 (0.60) NMUR2NMUR1OPRM1OPRD1OPRK1
SCHEMBL30233902 0.88 OPRM1 (0.62) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL30799488 0.88 OPRM1 (0.57) EPHA2NMUR2NMUR1KEAP1OPRM1

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-119751581-A Cyclic peptide molecule of specific targeting EphA2 and application thereof in preparation of tumor diagnosis reagent or tumor treatment drug 上海交通大学 2025-04-04 — — CN claimed
CN-119751581-A Cyclic peptide molecule of specific targeting EphA2 and application thereof in preparation of tumor diagnosis reagent or tumor treatment drug 上海交通大学 2025-04-04 — — CN disclosed
Send feedback