Sugi Predict

Sugi Predict / Compounds / SCHEMBL7762080

SCHEMBL7762080

SCHEMBL7762080

CC(C)(C)[C@H](NC(=O)C(CCCc1ccc(-c2ccccc2)cc1)CN(O)C=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 19/20 0.54
▸ MMP3 P08254 9/20 0.54
▸ BMP1 P13497 1/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP14 P50281 1/20 0.48

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
SCHEMBL5497562 0.79 PDF (0.61) MMP2MMP3MMP1
SCHEMBL5497566 0.79 PDF (0.61) MMP2MMP3MMP1
SCHEMBL14282178 0.77 PDF (0.52) MMP2MMP3BMP1
SCHEMBL7529199 0.77 MMP2 (0.49) MMP2MMP3BMP1
SCHEMBL6759388 0.76 PDF (0.53) MMP2MMP3BMP1
SCHEMBL7116708 0.75 MMP2 (0.49) MMP2MMP3BMP1
SCHEMBL7116705 0.75 MMP2 (0.49) MMP2MMP3BMP1
SCHEMBL7108593 0.73 MMP2 (0.64) MMP2MMP3MMP9MMP14
SCHEMBL7787562 0.72 MME (0.55) MMP2MMP3BMP1MMP1
SCHEMBL7787564 0.72 MME (0.55) MMP2MMP3BMP1MMP1

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-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 — — EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 — — WO disclosed