SCHEMBL7758531

SCHEMBL7758531

COC(=O)c1ccc(NC(=O)C(NC(=O)C(CC(=O)NO)CC(C)C)C2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.69
MMP3 P08254 8/20 0.69
MMP7 P09237 3/20 0.69
MMP2 P08253 8/20 0.66
MMP9 P14780 6/20 0.66
MMP14 P50281 4/20 0.66
PLAU P00749 2/20 0.46
HPN P05981 2/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MMP8 P22894 3/20 0.43
MMP13 P45452 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL6806856 1.00 MMP1 (0.69) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7765086 0.90 MMP1 (0.55) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7762136 0.82 MMP1 (1.00) MMP1MMP3MMP7MMP2MMP9
SCHEMBL9284470 0.80 MMP2 (1.00) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7762157 0.75 MMP2 (0.58) MMP1MMP3MMP2
SCHEMBL7763096 0.71 MMP3 (0.80) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7451414 0.71 MMP1 (0.71) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7761307 0.71 MMP1 (0.46) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7762316 0.70 MMP2 (0.75) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7763149 0.70 MMP1 (0.61) 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 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