SCHEMBL7795760

SCHEMBL7795760

CO/C=C(/Oc1cccc(Br)c1C(=O)O)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
LY96 Q9Y6Y9 1/20 0.33
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
FABP4 P15090 1/20 0.31

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
SCHEMBL7795765 1.00 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL7795814 0.90 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7754513 0.90 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7754517 0.90 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7803838 0.85 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL7803840 0.85 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL7801818 0.84 POLB (0.42) CA12CA1CA2CA7CA9
SCHEMBL7803904 0.84 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL7801816 0.84 POLB (0.42) CA12CA1CA2CA7CA9
SCHEMBL7803906 0.84 CA12 (0.41) CA12CA1CA2CA7CA9

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
EP-1097117-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2001-05-09 EP disclosed
WO-2000003975-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2000-01-27 WO disclosed