SCHEMBL21268429

SCHEMBL21268429

CC(C)(C)OC(=O)Oc1c[c]cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.47
▸ KDM1A O60341 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ STS P08842 1/20 0.30

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) ELANEKDM1ACA2
SCHEMBL21268164 0.85 ELANE (0.49) ELANEKDM1ACA2CYP3A4
SCHEMBL21268361 0.83 ELANE (0.47) ELANEKDM1ACA2
SCHEMBL21268199 0.83 ELANE (0.47) ELANEKDM1ACA2
SCHEMBL21268205 0.83 ELANE (0.51) ELANEKDM1ACA2MEN1KMT2A
SCHEMBL21268211 0.82 ELANE (0.46) ELANEKDM1ACA2
SCHEMBL21268259 0.82 ELANE (0.46) ELANEKDM1ACA2MAPT
SCHEMBL17046389 0.82 ELANE (0.46) ELANEKDM1ACA2
SCHEMBL21268202 0.82 ELANE (0.46) ELANEKDM1ACA2
SCHEMBL21268416 0.81 ELANE (0.49) ELANEKDM1ACA2MEN1KMT2A

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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