SCHEMBL29784971

SCHEMBL29784971

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ MME P08473 5/20 0.51
▸ GNPAT O15228 1/20 0.50
▸ PTPN1 P18031 1/20 0.49
▸ CTSC P53634 2/20 0.49
▸ ACE P12821 4/20 0.48
▸ ECE1 P42892 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP7 P09237 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ CPA1 P15085 2/20 0.47
▸ ACE2 Q9BYF1 2/20 0.47
▸ MMP1 P03956 1/20 0.46
▸ FCER2 P06734 1/20 0.46

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
SCHEMBL31514370 0.96 MME (0.53) ALDH1A1RAB9AMMEGNPATPTPN1
SCHEMBL8068319 0.90 MME (0.61) MMEGNPATCTSCACEITGB3
SCHEMBL8068326 0.90 MME (0.61) MMEGNPATCTSCACEITGB3
SCHEMBL29630729 0.90 MME (0.50) ALDH1A1RAB9AMMECTSCACE
SCHEMBL29784904 0.90 BACE1 (0.47) MMEGNPATACEMMP2MMP7
SCHEMBL31198202 0.90 MEN1 (0.52) MMEPTPN1ACECPA1ACE2
SCHEMBL29591605 0.89 OPRD1 (0.51) ALDH1A1RAB9AMMP1FCER2
SCHEMBL31607204 0.87 MME (0.55) MMEGNPATCTSCACEECE1
SCHEMBL29630352 0.87 MME (0.48) ALDH1A1MMEPTPN1CTSCACE
SCHEMBL29630682 0.87 CTSB (0.51) ALDH1A1RAB9AMMEACEITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119139532-A Sponge patch and preparation method and application thereof 昆明医科大学 2024-12-17 — — CN disclosed
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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