SCHEMBL21268147

SCHEMBL21268147

COC(=O)c1c[c]cc(OC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.46
▸ KDM1A O60341 1/20 0.36
▸ CA2 P00918 4/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ XDH P47989 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ FUT7 Q11130 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL21268416 0.85 ELANE (0.49) ELANEKDM1ACA2CA1POLB
SCHEMBL21268207 0.84 ELANE (0.53) ELANEKDM1ACA2
SCHEMBL21268412 0.84 ELANE (0.47) ELANEKDM1ACA2CA1ALDH1A1
SCHEMBL21821421 0.83 ELANE (0.53) ELANEKDM1ACA2CA1CA12
SCHEMBL21268199 0.81 ELANE (0.47) ELANEKDM1ACA2CA1KDM4E
SCHEMBL21268164 0.80 ELANE (0.49) ELANEKDM1ACA2
SCHEMBL7405863 0.80 CA1 (0.40) ELANECA2CA1CA12CA7
SCHEMBL21268429 0.78 ELANE (0.47) ELANEKDM1ACA2STSKMT2A
SCHEMBL21268361 0.78 ELANE (0.47) ELANEKDM1ACA2LMNA
SCHEMBL21268205 0.78 ELANE (0.51) ELANEKDM1ACA2KDM4EPOLB

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
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 — — EP disclosed
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