SCHEMBL7763161

SCHEMBL7763161

O=C(C[C@@H](CCCc1ccc(-c2ccccc2)cc1)C(=O)N(CO)CCc1cccnc1)NO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.54
MMP2 P08253 10/20 0.46
MMP3 P08254 7/20 0.46
MMP1 P03956 5/20 0.46
MMP7 P09237 1/20 0.46
PTAFR P25105 2/20 0.45
MMP9 P14780 4/20 0.43
LMNA P02545 1/20 0.43
HDAC2 Q92769 3/20 0.42
MMP14 P50281 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 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
SCHEMBL7763158 1.00 MMP12 (0.54) MMP12MMP2MMP3MMP1MMP7
SCHEMBL7762276 0.91 MMP12 (0.50) MMP12MMP2MMP3PTAFRMMP9
SCHEMBL7762278 0.91 MMP12 (0.50) MMP12MMP2MMP3PTAFRMMP9
SCHEMBL7762255 0.81 MMP2 (0.49) MMP12MMP2MMP3MMP9MMP14
SCHEMBL7762366 0.79 MMP2 (0.56) MMP2MMP3MMP1MMP7MMP9
SCHEMBL7762107 0.79 MMP2 (0.51) MMP2MMP3MMP1MMP7MMP9
SCHEMBL7762108 0.79 MMP2 (0.51) MMP2MMP3MMP1MMP7MMP9
SCHEMBL6270502 0.79 MMP12 (0.64) MMP12MMP2MMP3MMP1MMP7
SCHEMBL6270497 0.79 MMP12 (0.64) MMP12MMP2MMP3MMP1MMP7
SCHEMBL8047955 0.71 MMP12 (0.56) MMP12PTAFRLMNA

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