SCHEMBL21268202

SCHEMBL21268202

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.46
▸ KDM1A O60341 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL21268207 0.88 ELANE (0.53) ELANEKDM1ACA2
SCHEMBL21268164 0.83 ELANE (0.49) ELANEKDM1ACA2
SCHEMBL21268199 0.82 ELANE (0.47) ELANEKDM1ACA2MTNR1AMTNR1B
SCHEMBL21268361 0.82 ELANE (0.47) ELANEKDM1ACA2
SCHEMBL21268205 0.82 ELANE (0.51) ELANEKDM1ACA2MTNR1AMTNR1B
SCHEMBL21268429 0.82 ELANE (0.47) ELANEKDM1ACA2
SCHEMBL21268366 0.81 ELANE (0.44) ELANEKDM1ACA2
SCHEMBL21268211 0.81 ELANE (0.46) ELANEKDM1ACA2MTNR1AMTNR1B
SCHEMBL21268259 0.81 ELANE (0.46) ELANEKDM1ACA2NPC1RAB9A
SCHEMBL17046389 0.81 ELANE (0.46) ELANEKDM1ACA2MTNR1AMTNR1B

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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