SCHEMBL7894286

SCHEMBL7894286

CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.66
MMP1 P03956 8/20 0.66
MMP9 P14780 6/20 0.66
MMP8 P22894 6/20 0.66
ECE1 P42892 3/20 0.65
ERAP2 Q6P179 3/20 0.61
ADAM10 O14672 1/20 0.59
ADAM12 O43184 1/20 0.59
ADAMTS4 O75173 1/20 0.59
MMP3 P08254 1/20 0.59
MMP7 P09237 1/20 0.59
MMP12 P39900 1/20 0.59
MMP13 P45452 1/20 0.59
MMP14 P50281 1/20 0.59
MMP15 P51511 1/20 0.59
MMP16 P51512 1/20 0.59
ADAM17 P78536 1/20 0.59
ADAM9 Q13443 1/20 0.59
MMP26 Q9NRE1 1/20 0.59
MMP17 Q9ULZ9 1/20 0.59

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
SCHEMBL7382131 0.92 MMP1 (0.67) MMP2MMP1MMP9MMP8ECE1
SCHEMBL8764276 0.92 MMP1 (0.67) MMP2MMP1MMP9MMP8ECE1
SCHEMBL6414569 0.92 MMP1 (0.67) MMP2MMP1MMP9MMP8ECE1
SCHEMBL8387205 0.86 ECE1 (0.70) MMP1ECE1ERAP2IL1RNERAP1
SCHEMBL6413187 0.85 ECE1 (0.56) MMP2MMP1MMP9MMP8ECE1
SCHEMBL7383963 0.85 ECE1 (0.56) MMP2MMP1MMP9MMP8ECE1
SCHEMBL7432650 0.85 ECE1 (0.56) MMP2MMP1MMP9MMP8ECE1
SCHEMBL8014479 0.83 MMP1 (0.67) MMP2MMP1MMP9MMP8ECE1
SCHEMBL6413828 0.82 MMP2 (0.68) MMP2MMP1MMP9MMP8ECE1
SCHEMBL7887257 0.81 MMP1 (0.66) MMP2MMP1MMP9MMP8ERAP2

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