SCHEMBL7762298

SCHEMBL7762298

O=C(O)C[C@@H](CCCc1ccc(-c2ccccc2)cc1)C(=O)NC(CO)Cc1c[nH]cn1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 19/20 0.45
MMP3 P08254 8/20 0.45
MMP12 P39900 1/20 0.44
MMP1 P03956 1/20 0.42

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
SCHEMBL7762293 1.00 MMP2 (0.45) MMP2MMP3MMP12MMP1
SCHEMBL7762305 1.00 MMP2 (0.45) MMP2MMP3MMP12MMP1
SCHEMBL6279996 0.92 MMP2 (0.53) MMP2MMP3MMP12MMP1
SCHEMBL6279998 0.92 MMP2 (0.53) MMP2MMP3MMP12MMP1
SCHEMBL7765135 0.85 MME (0.37) MMP2MMP3
SCHEMBL7765130 0.85 MME (0.37) MMP2MMP3
SCHEMBL7765144 0.85 MME (0.37) MMP2MMP3
SCHEMBL7765152 0.85 MMP2 (0.55) MMP2MMP3MMP12MMP1
SCHEMBL7763746 0.82 MMP2 (0.49) MMP2MMP3MMP12MMP1
SCHEMBL7763742 0.82 MMP2 (0.49) MMP2MMP3MMP12MMP1

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