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Sugi Predict / Compounds / SCHEMBL7394273

SCHEMBL7394273

SCHEMBL7394273

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)C(=O)N(C(=O)OCc1ccccc1)c1n[nH]c(=S)s1.O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.44
▸ ITGA2B P08514 12/20 0.44
▸ HRAS P01112 5/20 0.44
▸ MME P08473 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ ITGAV P06756 1/20 0.40
▸ ERAP2 Q6P179 1/20 0.40
▸ LNPEP Q9UIQ6 1/20 0.40

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
SCHEMBL7355861 0.94 PSMB1 (0.41) HRASPPARGERAP2LNPEP
SCHEMBL7361335 0.89 MMP3 (0.42) MMEERAP2LNPEP
SCHEMBL7364939 0.87 ERAP2 (0.40) MMEERAP2LNPEP
SCHEMBL7423322 0.86 ERAP2 (0.40) ERAP2LNPEP
SCHEMBL7358575 0.85 PTPN1 (0.46) HRASMMEACECPA1ACE2
SCHEMBL7368214 0.84 LNPEP (0.41) HRASERAP2LNPEP
SCHEMBL7358511 0.84 MMP3 (0.41) ITGB3MMEITGAV
SCHEMBL7363969 0.84 CTSK (0.47) —
SCHEMBL7400006 0.83 MMP3 (0.42) ERAP2LNPEP
SCHEMBL7366734 0.83 LNPEP (0.40) ERAP2LNPEP

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
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 — — EP disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 — — WO disclosed