SCHEMBL8722982

SCHEMBL8722982

C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.50
MMP9 P14780 5/20 0.50
MMP12 P39900 4/20 0.50
CA2 P00918 3/20 0.49
CA1 P00915 2/20 0.49
ICMT O60725 1/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
ACE P12821 2/20 0.47
ADAMTS4 O75173 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
MME P08473 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
ADAM17 P78536 1/20 0.46
GRN P28799 1/20 0.46
SORT1 Q99523 1/20 0.46
FOLH1 Q04609 2/20 0.46
PRSS1 P07477 2/20 0.46
TMPRSS15 P98073 2/20 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
SCHEMBL8722961 0.85 CA2 (0.46) CA2CA1CA12CA9FOLH1
SCHEMBL8726202 0.85 CA2 (0.46) CA2CA1CA12CA9FOLH1
SCHEMBL8722086 0.80 CA2 (0.42) CA2CA1CA12CA9FOLH1
SCHEMBL8722158 0.80 CA2 (0.41) MMP2MMP9MMP12CA2CA1
SCHEMBL8722080 0.79 MMP2 (0.55) MMP2MMP9MMP12CA2CA1
SCHEMBL2249549 0.79 MMP12 (0.60) MMP2MMP9MMP12CA2CA1
SCHEMBL2249554 0.79 CA2 (0.63) MMP2MMP9CA2CA1ICMT
SCHEMBL27517605 0.79 ALDH1A1 (0.57) MMP2MMP9MMP12CA2CA1
SCHEMBL8726191 0.79 CA2 (0.41) MMP2CA2CA1CA12CA9
SCHEMBL714972 0.77 CA2 (0.61) CA2CA1CA12CA9FOLH1

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
WO-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed