SCHEMBL21268181

SCHEMBL21268181

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.44
▸ KDM1A O60341 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CA2 P00918 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
SCHEMBL21268207 0.85 ELANE (0.53) ELANEKDM1ACA2
SCHEMBL21268428 0.82 ELANE (0.44) ELANEKDM1AALDH1A1MAPTCA2
SCHEMBL21268164 0.81 ELANE (0.49) ELANEKDM1ACA2
SCHEMBL21268199 0.80 ELANE (0.47) ELANEKDM1AALDH1A1CA2
SCHEMBL21268429 0.80 ELANE (0.47) ELANEKDM1AMAPTCA2
SCHEMBL21268205 0.80 ELANE (0.51) ELANEKDM1AMAPTCA2
SCHEMBL21268361 0.80 ELANE (0.47) ELANEKDM1ACA2
SCHEMBL16954751 0.79 LMNA (0.37) ELANEMAPT
SCHEMBL21268202 0.78 ELANE (0.46) ELANEKDM1ANPC1RAB9ACA2
SCHEMBL21268259 0.78 ELANE (0.46) ELANEKDM1ANPC1MAPTHTT

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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