SCHEMBL7763152

SCHEMBL7763152

CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.75
MMP9 P14780 9/20 0.75
MMP8 P22894 6/20 0.75
MMP7 P09237 4/20 0.69
MMP13 P45452 3/20 0.69
MMP12 P39900 2/20 0.69
BIRC2 Q13490 4/20 0.61
MME P08473 2/20 0.60
MMP1 P03956 9/20 0.59
MMP3 P08254 6/20 0.59
FCER2 P06734 3/20 0.59
MMP14 P50281 2/20 0.57
ADAM17 P78536 1/20 0.57

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
SCHEMBL4288816 0.85 MMP2 (0.63) MMP2MMP9MMP8MMP7MMP13
SCHEMBL11412351 0.85 MMP2 (0.55) MMP2MMP9MMP8MMP7MMP13
SCHEMBL7368385 0.85 MME (0.81) MMP2MMP9MMP8MMP7MMP13
SCHEMBL9284706 0.84 MMP9 (0.70) MMP2MMP9MMP8MMP7MMP13
SCHEMBL29843442 0.83 MMP9 (0.74) MMP2MMP9MMP8MMP7MMP13
SCHEMBL10424911 0.83 MMP2 (0.60) MMP2MMP9MMP8MMP7MMP13
SCHEMBL8269110 0.81 MME (0.61) MMP2MMP9MMP8MMP7MMP13
SCHEMBL8601655 0.81 MMP2 (0.65) MMP2MMP9MMP8MMP7MMP13
SCHEMBL7374287 0.80 MMP1 (0.58) MMP2MMP9MMP8MMP7MMP13
SCHEMBL9067110 0.78 MME (0.67) MME

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 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