SCHEMBL2245705

SCHEMBL2245705

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.53
CA1 P00915 3/20 0.53
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
MME P08473 1/20 0.47
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL2245702 0.87 MMP12 (0.56) CA2CA1F2F10PRSS1
SCHEMBL2246916 0.83 CA2 (0.58) CA2CA1KMT2ARAB9ANPSR1
SCHEMBL2245325 0.83 CA2 (0.69) CA2CA1F2KMT2ARAB9A
SCHEMBL2246061 0.83 CA2 (0.69) CA2CA1F2KMT2ARAB9A
SCHEMBL2246549 0.81 RXRA (0.58) CA2CA1F2F10PRSS1
SCHEMBL2251027 0.79 CA2 (0.51) CA2CA1MMP2MMP9
SCHEMBL3580201 0.79 KLKB1 (0.54) MMEALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL5260686 0.79 CA2 (0.70) CA2CA1KMT2AMRGPRX4MMP2
SCHEMBL5260684 0.79 CA2 (0.70) CA2CA1KMT2AMRGPRX4MMP2
SCHEMBL27708291 0.77 CA2 (0.48) CA2CA1KMT2A

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