SCHEMBL29784904

SCHEMBL29784904

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 8/20 0.47
▸ PSMB5 P28074 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ CTSB P07858 1/20 0.46
▸ MME P08473 1/20 0.46
▸ CTSD P07339 2/20 0.45
▸ GNPAT O15228 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP7 P09237 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP12 P39900 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ ACE P12821 1/20 0.45

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
SCHEMBL31366730 0.95 OPRD1 (0.53) OPRM1OPRD1MMEACE
SCHEMBL31419815 0.94 KISS1R (0.48) BACE1OPRM1OPRD1MMECTSD
SCHEMBL31419810 0.94 KISS1R (0.48) BACE1OPRM1OPRD1MMECTSD
SCHEMBL29658158 0.92 MME (0.50) PSMB5OPRM1OPRD1CTSBMME
SCHEMBL29784971 0.90 ALDH1A1 (0.52) MMEGNPATMMP2MMP7MMP9
SCHEMBL30123255 0.88 BACE1 (0.53) BACE1OPRM1OPRD1CTSD
SCHEMBL30054155 0.88 MME (0.56) PSMB5OPRM1OPRD1MMECTSD
SCHEMBL30055181 0.87 MME (0.49) BACE1OPRM1OPRD1MMECTSD
SCHEMBL31134971 0.87 MME (0.47) BACE1OPRM1OPRD1MMECTSD
SCHEMBL31514370 0.86 MME (0.53) MMEGNPATMMP2MMP7MMP9

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-112521504-B Anti-human EGFR nano antibody and application thereof 暨南大学 2022-08-16 — — CN disclosed
CN-112457405-B Anti-human EGFR nano antibody and application 暨南大学 2022-08-12 — — CN disclosed
CN-112457404-B Anti-human EGFR nano antibody and application 暨南大学 2022-08-12 — — CN disclosed
CN-112552402-B Anti-human EGFR nano antibody and application 暨南大学 2022-08-12 — — CN disclosed
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