SCHEMBL7895353

SCHEMBL7895353

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(Br)CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.55
MMP3 P08254 14/20 0.54
MMP2 P08253 14/20 0.54
MMP9 P14780 8/20 0.54
MMP7 P09237 7/20 0.54
MMP14 P50281 4/20 0.54
MMP8 P22894 5/20 0.49
FCER2 P06734 1/20 0.49
ADAM17 P78536 1/20 0.48
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48

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
SCHEMBL7894438 0.94 MMP1 (0.56) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7897220 0.94 MMP1 (0.56) MMP1MMP3MMP2MMP9MMP7
SCHEMBL6416229 0.89 MMP1 (0.56) MMP1MMP3MMP2MMP9MMP7
SCHEMBL6846260 0.89 MMP1 (0.56) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7424545 0.89 MMP1 (0.56) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7383987 0.89 MMP1 (0.56) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7283858 0.86 MMP1 (0.71) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7283831 0.86 MMP1 (0.71) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7397714 0.86 MMP1 (0.55) MMP1MMP3MMP2MMP9MMP7
SCHEMBL6413231 0.85 MMP1 (0.57) MMP1MMP3MMP2MMP9MMP7

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
US-6180611-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2001-01-30 US disclosed
US-5994312-A Peptidyl compounds DARWIN DISCOVERY, LTD. (GB) 1999-11-30 US disclosed