SCHEMBL2249554

SCHEMBL2249554

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

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.63
CA1 P00915 4/20 0.63
ICMT O60725 1/20 0.53
KMT2A Q03164 1/20 0.52
GRN P28799 2/20 0.50
SORT1 Q99523 2/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
ADAM17 P78536 1/20 0.50
PARP10 Q53GL7 1/20 0.49
C3AR1 Q16581 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.46
MMP1 P03956 1/20 0.46
HPGD P15428 1/20 0.46
UTS2R Q9UKP6 1/20 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
SCHEMBL2247559 0.89 ALDH1A1 (0.58) CA2CA1KMT2ASMN1; SMN2MRGPRX4
SCHEMBL5260684 0.87 CA2 (0.70) CA2CA1KMT2AMMP2MMP9
SCHEMBL5260686 0.87 CA2 (0.70) CA2CA1KMT2AMMP2MMP9
SCHEMBL2246061 0.86 CA2 (0.69) CA2CA1KMT2AMMP2MMP9
SCHEMBL2245325 0.86 CA2 (0.69) CA2CA1KMT2AMMP2MMP9
SCHEMBL2249549 0.84 MMP12 (0.60) CA2CA1ICMTMMP2MMP9
SCHEMBL27517605 0.84 ALDH1A1 (0.57) CA2CA1ICMTGRNSORT1
SCHEMBL2251677 0.82 GPR132 (0.55) CA2CA1PARP10MRGPRX4
SCHEMBL5999343 0.82 MMP2 (0.52) MMP2MMP9ADAM17PARP10SMN1; SMN2
SCHEMBL2247497 0.82 CA2 (0.44) CA2CA1ICMTMMP2MMP9

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