SCHEMBL29630729

SCHEMBL29630729

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.50
▸ QRFPR Q96P65 2/20 0.50
▸ ACE P12821 5/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ MMP2 P08253 1/20 0.46
▸ MMP7 P09237 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP12 P39900 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ CPA1 P15085 2/20 0.46
▸ ACE2 Q9BYF1 2/20 0.46
▸ ECE1 P42892 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CTSC P53634 2/20 0.45
▸ NAALAD2 Q9Y3Q0 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
SCHEMBL31514370 0.94 MME (0.53) MMEACEITGB3ITGA2BMMP2
SCHEMBL29350857 0.93 MME (0.57) MMEQRFPRACEITGB3ITGA2B
SCHEMBL29784971 0.90 ALDH1A1 (0.52) MMEACEITGB3ITGA2BMMP2
SCHEMBL29349607 0.87 MME (0.59) MMEQRFPRACEITGB3ITGA2B
SCHEMBL30900762 0.87 MME (0.59) MMEQRFPRACEITGB3ITGA2B
SCHEMBL29630682 0.87 CTSB (0.51) MMEQRFPRACEITGB3ITGA2B
SCHEMBL31419810 0.86 KISS1R (0.48) MME
SCHEMBL31419815 0.86 KISS1R (0.48) MME
SCHEMBL29574387 0.86 MME (0.56) MMEACEITGB3ITGA2BMMP2
SCHEMBL27450014 0.86 MME (0.56) MMEACEITGB3ITGA2BMMP2

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
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
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