SCHEMBL7895293

SCHEMBL7895293

CNC(=O)CCCCC(S)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.56
MMP1 P03956 12/20 0.55
MMP2 P08253 9/20 0.55
MMP3 P08254 8/20 0.55
MMP8 P22894 8/20 0.54
MMP9 P14780 5/20 0.54
MMP7 P09237 4/20 0.54
FCER2 P06734 1/20 0.54
PSMB5 P28074 3/20 0.51
ADAM17 P78536 1/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
MMP12 P39900 1/20 0.50
MMP13 P45452 1/20 0.50
MMP14 P50281 1/20 0.50

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
SCHEMBL7895350 0.92 MME (0.56) MMEMMP1MMP2MMP3MMP8
SCHEMBL7426252 0.90 MMP1 (0.62) MMEMMP1MMP2MMP3MMP8
SCHEMBL7383157 0.90 MMP1 (0.62) MMEMMP1MMP2MMP3MMP8
SCHEMBL6413299 0.90 MMP1 (0.62) MMEMMP1MMP2MMP3MMP8
SCHEMBL7424246 0.90 MMP1 (0.62) MMEMMP1MMP2MMP3MMP8
SCHEMBL7428922 0.87 MMP1 (0.63) MMEMMP1MMP2MMP3MMP8
SCHEMBL6419589 0.87 MMP1 (0.63) MMEMMP1MMP2MMP3MMP8
SCHEMBL7382552 0.87 MMP1 (0.63) MMEMMP1MMP2MMP3MMP8
SCHEMBL6417820 0.86 MME (0.61) MMEMMP1MMP2MMP3MMP8
SCHEMBL6418586 0.86 MME (0.61) MMEMMP1MMP2MMP3MMP8

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