SCHEMBL7758593

SCHEMBL7758593

CC(C)CC(CC(=O)O)C(=O)NC(C(=O)Nc1ccncc1)C(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.69
MMP3 P08254 11/20 0.69
MMP1 P03956 6/20 0.50
MMP9 P14780 4/20 0.50
MMP8 P22894 2/20 0.50
MMP13 P45452 2/20 0.50
MMP14 P50281 1/20 0.50
ADAM17 P78536 1/20 0.50
AAK1 Q2M2I8 1/20 0.44

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
SCHEMBL7758581 0.84 MMP3 (0.61) MMP2MMP3MMP1MMP9MMP8
SCHEMBL7406850 0.83 MMP2 (0.50) MMP2MMP3MMP1MMP9MMP8
SCHEMBL4633112 0.80 MMP3 (0.74) MMP2MMP3MMP1MMP9MMP8
SCHEMBL5088865 0.80 MMP3 (0.74) MMP2MMP3MMP1MMP9MMP8
Hydrochloric Acid SCHEMBL7765095 0.80 MMP2 (0.52) MMP2MMP3MMP1MMP9MMP8
SCHEMBL8773896 0.77 MME (0.60) MMP2MMP3MMP1MMP9MMP8
SCHEMBL8777512 0.76 MMP3 (0.59) MMP2MMP3MMP1MMP9MMP8
SCHEMBL8777504 0.75 MMP2 (0.57) MMP2MMP3MMP1MMP9MMP8
SCHEMBL7604668 0.75 MMP2 (0.55) MMP2MMP3
SCHEMBL7604680 0.75 MMP2 (0.55) MMP2MMP3

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 2 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