SCHEMBL5060570

SCHEMBL5060570

CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 10/20 0.83
▸ MMP8 P22894 10/20 0.83
▸ MMP9 P14780 9/20 0.83
▸ MMP1 P03956 12/20 0.82
▸ MMP7 P09237 2/20 0.82
▸ ADAM10 O14672 1/20 0.82
▸ ADAM12 O43184 1/20 0.82
▸ ADAMTS4 O75173 1/20 0.82
▸ MMP3 P08254 1/20 0.82
▸ MMP12 P39900 1/20 0.82
▸ MMP13 P45452 1/20 0.82
▸ MMP14 P50281 1/20 0.82
▸ MMP15 P51511 1/20 0.82
▸ MMP16 P51512 1/20 0.82
▸ ADAM17 P78536 1/20 0.82
▸ ADAM9 Q13443 1/20 0.82
▸ MMP26 Q9NRE1 1/20 0.82
▸ MMP17 Q9ULZ9 1/20 0.82
▸ ADAMTS5 Q9UNA0 1/20 0.82

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
SCHEMBL4845965 0.91 MMP2 (0.84) MMP2MMP8MMP9MMP1MMP7
SCHEMBL7411594 0.91 MMP1 (0.82) MMP2MMP8MMP9MMP1MMP7
Ilomastat SCHEMBL29412562 0.90 MMP2 (1.00) MMP2MMP8MMP9MMP1MMP7
Ilomastat SCHEMBL8190117 0.90 MMP2 (1.00) MMP2MMP8MMP9MMP1MMP7
Ilomastat SCHEMBL7870487 0.90 MMP2 (1.00) MMP2MMP8MMP9MMP1MMP7
Ilomastat SCHEMBL35303 0.90 MMP2 (1.00) MMP2MMP8MMP9MMP1MMP7
Ilomastat SCHEMBL4394885 0.90 MMP2 (1.00) MMP2MMP8MMP9MMP1MMP7
Ilomastat SCHEMBL4293696 0.90 MMP2 (1.00) MMP2MMP8MMP9MMP1MMP7
Ilomastat SCHEMBL13575799 0.90 MMP2 (1.00) MMP2MMP8MMP9MMP1MMP7
Ilomastat SCHEMBL6691646 0.90 MMP2 (1.00) MMP2MMP8MMP9MMP1MMP7

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-20080206219-A1 Using cytokine modulators as therapeutic tools in treatment of vascular permeability disorders THE REGENCTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-28 — — US disclosed
WO-2005013915-A2 NOVEL INDICATIONS FOR TRANSFORMING GROWTH FACTOR-BETA REGULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-02-17 — — WO disclosed
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