SCHEMBL2245702

SCHEMBL2245702

CCOc1ccccc1-c1ccc(C(=O)N[C@@H](CCC(=O)O)C(N)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.56
MME P08473 1/20 0.52
CA1 P00915 2/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
HPGDS O60760 2/20 0.50
ADAMTS5 Q9UNA0 2/20 0.48
ADAMTS4 O75173 1/20 0.48
PTPN1 P18031 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
P2RY12 Q9H244 3/20 0.46

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
SCHEMBL2245705 0.87 CA2 (0.53) MMECA1TDP1LMNAF2
SCHEMBL3580201 0.85 KLKB1 (0.54) MMP12MMEADAMTS5ADAMTS4MMP2
SCHEMBL2246912 0.83 MMP12 (0.58) MMP12CA1CA12CA9HPGDS
SCHEMBL2252056 0.83 ADAMTS5 (0.69) MMP12MMEADAMTS5ADAMTS4TDP1
SCHEMBL2247531 0.83 ADAMTS5 (0.52) MMP12MMEADAMTS5ADAMTS4MMP2
SCHEMBL2245321 0.83 MMP12 (0.76) MMP12CA1CA12CA9HPGDS
SCHEMBL2246054 0.83 MMP12 (0.76) MMP12CA1CA12CA9HPGDS
SCHEMBL2246545 0.81 MMP12 (0.61) MMP12CA1CA12CA9HPGDS
SCHEMBL2251026 0.79 MMP12 (0.57) MMP12HPGDSADAMTS5ADAMTS4PTPN1
SCHEMBL10518630 0.79 HPGDS (0.69) MMP12CA1CA12CA9HPGDS

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-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed