SCHEMBL21268442

SCHEMBL21268442

CCOc1c[c]cc(OC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.45
▸ LMNA P02545 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ CA2 P00918 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PLK1 P53350 1/20 0.32

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
SCHEMBL21268207 0.90 ELANE (0.53) ELANEKDM1ACA2MAPKAPK2
SCHEMBL21268208 0.88 ELANE (0.43) ELANELMNAKMT2ACYP1A2KDM1A
SCHEMBL21268440 0.85 ELANE (0.43) ELANEKDM1ACA2MAPKAPK2
SCHEMBL21268199 0.84 ELANE (0.47) ELANEKDM1ACA2KDM4E
SCHEMBL21268205 0.84 ELANE (0.51) ELANELMNAKMT2AMEN1KDM1A
SCHEMBL21268324 0.84 ELANE (0.42) ELANELMNAKMT2AMEN1CYP1A2
SCHEMBL21268359 0.84 ELANE (0.42) ELANEKDM1ACA2GPR119
SCHEMBL21268213 0.83 ELANE (0.44) ELANEKDM1ACA2
SCHEMBL21268164 0.82 ELANE (0.49) ELANEKDM1ACA2
SCHEMBL21268361 0.81 ELANE (0.47) ELANELMNAKDM1ACA2MAPKAPK2

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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