SCHEMBL7762136

SCHEMBL7762136

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 1.00
MMP3 P08254 7/20 1.00
MMP7 P09237 6/20 1.00
MMP2 P08253 12/20 0.60
MMP9 P14780 9/20 0.60
MMP8 P22894 8/20 0.60
MMP13 P45452 4/20 0.54
BIRC2 Q13490 2/20 0.54
FCER2 P06734 3/20 0.53
MMP12 P39900 2/20 0.52
MMP14 P50281 1/20 0.49
ANPEP P15144 1/20 0.49

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
SCHEMBL7763096 0.89 MMP3 (0.80) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7758424 0.84 MMP1 (0.73) MMP1MMP3MMP7MMP2MMP9
SCHEMBL6811143 0.84 MMP1 (0.73) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7451414 0.83 MMP1 (0.71) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7762316 0.82 MMP2 (0.75) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7758531 0.82 MMP1 (0.69) MMP1MMP3MMP7MMP2MMP9
SCHEMBL6806856 0.82 MMP1 (0.69) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7762371 0.76 MMP3 (0.61) MMP1MMP3MMP7MMP2FCER2
SCHEMBL7763149 0.76 MMP1 (0.61) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7758581 0.76 MMP3 (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