SCHEMBL21609804

SCHEMBL21609804

COC(=O)c1cc(OC2CC2)cc(OC2CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.60
▸ HSD17B10 Q99714 1/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ XDH P47989 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ FUT7 Q11130 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 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
SCHEMBL21712104 0.89 EPHX2 (0.58) EPHX2HSD17B10CA1CA2CA12
SCHEMBL26146677 0.89 EPHX2 (0.54) EPHX2FAAH
SCHEMBL3606380 0.88 EPHX2 (0.51) EPHX2HSD17B10CA1CA2CA12
SCHEMBL30057722 0.84 EPHX2 (0.50) EPHX2HSD17B10CA1CA2CA12
SCHEMBL26146672 0.84 EPHX2 (0.50) EPHX2HSD17B10CA1CA2CA12
SCHEMBL30057714 0.84 EPHX2 (0.50) EPHX2HSD17B10CA1CA2CA12
SCHEMBL26146670 0.84 EPHX2 (0.50) EPHX2HSD17B10CA1CA2CA12
SCHEMBL17933968 0.84 CA12 (0.56) EPHX2HSD17B10CA1CA2CA12
SCHEMBL2562838 0.83 EPHX2 (0.47) EPHX2HSD17B10CA1CA2CA12
SCHEMBL2960041 0.83 PRSS1 (0.53) EPHX2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814332-B1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 — — EP disclosed
EP-3814332-B1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 — — EP disclosed
EP-3814332-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-05-05 — — EP disclosed
WO-2020002563-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-01-02 — — WO disclosed
WO-2020002563-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-01-02 — — WO disclosed
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