SCHEMBL7931057

SCHEMBL7931057

C=CCC(C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@H](C)CCC

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.72
MMP3 P08254 17/20 0.72
MMP7 P09237 15/20 0.72
MMP1 P03956 14/20 0.72
MMP8 P22894 2/20 0.70
ADAM17 P78536 1/20 0.70
MMP9 P14780 1/20 0.70
MMP12 P39900 1/20 0.70
MMP13 P45452 1/20 0.70
MMP14 P50281 1/20 0.70
FCER2 P06734 3/20 0.53

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
SCHEMBL6805358 1.00 MMP2 (0.72) MMP2MMP3MMP7MMP1MMP8
SCHEMBL6808734 1.00 MMP2 (0.72) MMP2MMP3MMP7MMP1MMP8
SCHEMBL4431907 0.90 MMP2 (0.78) MMP2MMP3MMP7MMP1MMP8
SCHEMBL4425335 0.90 MMP2 (0.78) MMP2MMP3MMP7MMP1MMP8
SCHEMBL4418755 0.89 MMP2 (0.74) MMP2MMP3MMP7MMP1MMP8
SCHEMBL4421723 0.88 MMP2 (0.78) MMP2MMP3MMP7MMP1MMP8
SCHEMBL4428170 0.88 MMP2 (0.81) MMP2MMP3MMP7MMP1MMP8
SCHEMBL4431974 0.86 MMP2 (0.78) MMP2MMP3MMP7MMP1MMP8
SCHEMBL4424468 0.84 MMP2 (0.86) MMP2MMP3MMP7MMP1MMP8
SCHEMBL4423322 0.84 MMP2 (0.75) MMP2MMP3MMP7MMP1MMP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306881-B1 ENZYME INHIBITORS ADMINISTERED TO MAMMALS AS ANTIINFLAMMATORY AGENTS BRITISH BIOTECH PHARMACEUTICALS (GB) 2001-10-23 US disclosed