SCHEMBL7761307

SCHEMBL7761307

CC(C)CC(CC(=O)NO)C(=O)N(CC(=O)O)C1CCCCC1.COC(=O)c1ccc(NC=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.46
MMP3 P08254 4/20 0.46
MMP7 P09237 2/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.41
MMP2 P08253 2/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL9067396 0.82 MMP1 (0.51) MMP1MMP3MMP2MMP9MMP14
SCHEMBL7053125 0.78 MEN1 (0.39) MEN1KMT2AMAPK1
SCHEMBL6413994 0.78 MEN1 (0.39) MEN1KMT2AMAPK1
SCHEMBL7451414 0.74 MMP1 (0.71) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7763149 0.73 MMP1 (0.61) MMP1MMP3MMP7MMP2MMP9
SCHEMBL6806856 0.71 MMP1 (0.69) MMP1MMP3MMP7MEN1KMT2A
SCHEMBL7758531 0.71 MMP1 (0.69) MMP1MMP3MMP7MEN1KMT2A
SCHEMBL7385098 0.70 SMN1; SMN2 (0.52) MEN1KMT2AMAPK1
SCHEMBL7763578 0.67 MMP1 (0.58) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7374287 0.65 MMP1 (0.58) MMP1MMP3MMP7MMP2MMP9

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