Sugi Predict

Sugi Predict / Compounds / SCHEMBL7394276

SCHEMBL7394276

SCHEMBL7394276

CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1ccccc1)C(=O)Nc1n[nH]c(=S)s1.O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 8/20 0.55
▸ MMP1 P03956 10/20 0.51
▸ MMP2 P08253 6/20 0.51
▸ MMP9 P14780 5/20 0.50
▸ MMP8 P22894 5/20 0.50
▸ ITGB3 P05106 6/20 0.47
▸ ITGA2B P08514 6/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL8896527 0.98 MMP3 (0.57) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7361337 0.92 MMP3 (0.64) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7361333 0.92 MMP3 (0.64) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7423329 0.89 MMP1 (0.59) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7358578 0.88 MMP3 (0.56) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7400008 0.86 MMP1 (0.59) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7358551 0.85 MMP3 (0.56) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7365921 0.85 CTSK (0.59) MMP3MMP1MMP2
SCHEMBL7364811 0.85 CTSK (0.59) MMP3MMP1MMP2
SCHEMBL6968687 0.84 MMP3 (0.56) MMP3MMP1MMP2MMP9MMP8

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