SCHEMBL29980542

SCHEMBL29980542

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.59
▸ NMUR2 Q9GZQ4 5/20 0.57
▸ NMUR1 Q9HB89 5/20 0.57
▸ KDM1A O60341 2/20 0.54
▸ MAOB P27338 1/20 0.54
▸ KDM5A P29375 1/20 0.54
▸ KDM1B Q8NB78 1/20 0.54
▸ TFPI P10646 4/20 0.53
▸ OPRM1 P35372 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ SORT1 Q99523 1/20 0.52

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
SCHEMBL29980543 0.98 EPHA2 (0.57) EPHA2NMUR2NMUR1KDM1AMAOB
SCHEMBL29980128 0.92 NMUR2 (0.58) EPHA2NMUR2NMUR1KDM1AMAOB
SCHEMBL29980254 0.92 KDM1A (0.63) EPHA2NMUR2NMUR1KDM1AMAOB
SCHEMBL9807256 0.90 EPHA2 (0.59) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL9807245 0.88 EPHA2 (0.61) EPHA2NTSR2NTSR1SORT1
SCHEMBL30571151 0.86 EPHA2 (0.58) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL30844077 0.85 OPRD1 (0.66) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL9807262 0.85 EPHA2 (0.61) EPHA2NMUR2NMUR1KDM1AMAOB
SCHEMBL30063804 0.85 EPHA2 (0.58) EPHA2NMUR2NMUR1KDM1AMAOB
SCHEMBL31084238 0.84 F2 (0.62) NMUR2NMUR1NTSR2NTSR1SORT1

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
CN-113817023-B FGFR 4-targeted affinity peptide and application thereof 中国药科大学 2022-10-04 — — CN claimed
CN-115477690-B Affinity peptide of target FGFR4 and application thereof 中国药科大学 2025-01-03 — — CN disclosed
CN-115477690-A FGFR 4-targeted affinity peptide and application thereof 中国药科大学 2022-12-16 — — CN disclosed
CN-113817023-B FGFR 4-targeted affinity peptide and application thereof 中国药科大学 2022-10-04 — — CN disclosed
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