SCHEMBL7763650

SCHEMBL7763650

O=C(CC(CCCc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CO)Cc1ccc(O)cc1)NO

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.59
MMP3 P08254 9/20 0.59
MMP1 P03956 8/20 0.59
MMP7 P09237 1/20 0.59
MMP9 P14780 5/20 0.56
MMP8 P22894 3/20 0.56
MMP14 P50281 3/20 0.52
FCER2 P06734 1/20 0.50

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
SCHEMBL7763651 1.00 MMP2 (0.59) MMP2MMP3MMP1MMP7MMP9
SCHEMBL7763746 0.91 MMP2 (0.49) MMP2MMP3MMP1MMP7
SCHEMBL7763742 0.91 MMP2 (0.49) MMP2MMP3MMP1MMP7
SCHEMBL6270672 0.91 MMP2 (0.65) MMP2MMP3MMP1MMP7MMP9
SCHEMBL6270662 0.91 MMP2 (0.65) MMP2MMP3MMP1MMP7MMP9
SCHEMBL6270502 0.86 MMP12 (0.64) MMP2MMP3MMP1MMP7MMP9
SCHEMBL6270497 0.86 MMP12 (0.64) MMP2MMP3MMP1MMP7MMP9
SCHEMBL7765152 0.85 MMP2 (0.55) MMP2MMP3MMP1MMP7
SCHEMBL8321331 0.85 MMP2 (0.55) MMP2MMP3MMP1MMP7MMP9
SCHEMBL6279998 0.83 MMP2 (0.53) MMP2MMP3MMP1MMP7MMP9

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