SCHEMBL21268385

SCHEMBL21268385

CCCc1c[c]cc(OC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.42
▸ PTPN1 P18031 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ CA2 P00918 2/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ SLC5A1 P13866 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 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
SCHEMBL21268334 0.92 ELANE (0.40) ELANECA2MAPKAPK2THRBKDM1A
SCHEMBL21268213 0.88 ELANE (0.44) ELANECA2KDM1A
SCHEMBL21268366 0.85 ELANE (0.44) ELANECA2KDM1APPARGPPARA
SCHEMBL21268207 0.83 ELANE (0.53) ELANECA2MAPKAPK2KDM1A
SCHEMBL21268281 0.82 ELANE (0.41) ELANECA2KDM1A
SCHEMBL21268208 0.81 ELANE (0.43) ELANECA2MAPKAPK2KDM1AALDH1A1
SCHEMBL21268442 0.81 ELANE (0.45) ELANECA2MAPKAPK2KDM1ANPC1
SCHEMBL16957415 0.80 CYP4F2 (0.41) PTPN1PTPN11THRBALOX5ALDH1A1
SCHEMBL21268164 0.79 ELANE (0.49) ELANECA2KDM1A
SCHEMBL21268361 0.77 ELANE (0.47) ELANECA2MAPKAPK2KDM1A

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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