SCHEMBL7758522

SCHEMBL7758522

CC(C)(O)C(NC(=O)C(CCCCc1ccc(-c2ccccc2)cc1)C(=O)O)C(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 0.55
MMP3 P08254 12/20 0.55
SPHK1 Q9NYA1 1/20 0.44

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
SCHEMBL6268879 0.86 MMP2 (0.65) MMP2MMP3
Trifluoroacetic Acid SCHEMBL7762284 0.82 MMP2 (0.60) MMP2MMP3
SCHEMBL7758482 0.76 MMP2 (0.62) MMP2MMP3
SCHEMBL10419244 0.73 CNR1 (0.50) SPHK1
SCHEMBL7763695 0.71 MMP2 (0.73) MMP2MMP3
SCHEMBL7758573 0.70 MMP2 (0.71) MMP2MMP3
SCHEMBL6557873 0.70 RARB (0.51) MMP2
SCHEMBL7763206 0.70 MME (0.41)
SCHEMBL7761531 0.70 MMP2 (0.72) MMP2MMP3
SCHEMBL19534347 0.69 MMP2 (0.49) MMP2MMP3

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 4 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 claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
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