SCHEMBL7765890

SCHEMBL7765890

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.80
MMP9 P14780 12/20 0.80
MMP8 P22894 9/20 0.80
MMP1 P03956 7/20 0.80
MMP14 P50281 2/20 0.74
ADAM10 O14672 1/20 0.74
ADAM12 O43184 1/20 0.74
ADAMTS4 O75173 1/20 0.74
MMP3 P08254 1/20 0.74
MMP7 P09237 1/20 0.74
MMP12 P39900 1/20 0.74
MMP13 P45452 1/20 0.74
MMP15 P51511 1/20 0.74
MMP16 P51512 1/20 0.74
ADAM17 P78536 1/20 0.74
ADAM9 Q13443 1/20 0.74
MMP26 Q9NRE1 1/20 0.74
MMP17 Q9ULZ9 1/20 0.74
ADAMTS5 Q9UNA0 1/20 0.74
ECE1 P42892 1/20 0.67

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
SCHEMBL6577614 1.00 MMP2 (0.80) MMP2MMP9MMP8MMP1MMP14
SCHEMBL6439250 1.00 MMP2 (0.80) MMP2MMP9MMP8MMP1MMP14
SCHEMBL6431194 0.92 ECE1 (0.79) MMP2MMP9MMP8MMP1MMP14
SCHEMBL6576037 0.90 MMP2 (0.70) MMP2MMP9MMP8MMP1MMP14
SCHEMBL6438804 0.89 MMP1 (0.67) MMP2MMP9MMP8MMP1MMP7
SCHEMBL6577793 0.89 MMP2 (1.00) MMP2MMP9MMP8MMP1MMP14
SCHEMBL6575453 0.87 MMP2 (0.72) MMP2MMP9MMP8MMP1MMP14
SCHEMBL6575670 0.86 MMP1 (0.84) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6574353 0.85 MMP2 (0.76) MMP2MMP9MMP8MMP1MMP14
Ilomastat SCHEMBL8190117 0.85 MMP2 (1.00) MMP2MMP9MMP8MMP1MMP14

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
EP-1101496-A1 THERAPEUTIC AGENTS FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed