Sugi Predict

Sugi Predict / Compounds / SCHEMBL7758553

SCHEMBL7758553

SCHEMBL7758553

CC[C@@H](c1ccc(C(F)(F)F)cc1)C(CC(=O)NO)C(=O)N[C@H](C(N)=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FCER2 P06734 5/20 0.40
▸ MMP9 P14780 4/20 0.40
▸ MMP2 P08253 7/20 0.38
▸ MMP3 P08254 7/20 0.38
▸ ECE1 P42892 1/20 0.38
▸ MMP1 P03956 5/20 0.38
▸ PDF Q9HBH1 1/20 0.36

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
SCHEMBL6418840 1.00 FCER2 (0.40) FCER2MMP9MMP2MMP3ECE1
SCHEMBL8667836 0.89 FCER2 (0.48) FCER2MMP9MMP2MMP3ECE1
SCHEMBL6413230 0.88 MMP3 (0.45) FCER2MMP9MMP2MMP3ECE1
SCHEMBL8665728 0.87 MMP3 (0.44) FCER2MMP9MMP2MMP3ECE1
SCHEMBL8664100 0.87 MMP2 (0.49) FCER2MMP9MMP2MMP3MMP1
SCHEMBL6412000 0.85 FCER2 (0.44) FCER2MMP9MMP2MMP3ECE1
SCHEMBL6417772 0.85 MMP3 (0.48) FCER2MMP9MMP2MMP3MMP1
SCHEMBL7764984 0.85 MMP3 (0.48) FCER2MMP9MMP2MMP3MMP1
SCHEMBL8668754 0.78 MMP3 (0.58) MMP9MMP2MMP3MMP1
SCHEMBL8665565 0.77 MMP3 (0.56) MMP9MMP2MMP3MMP1

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