SCHEMBL16950784

SCHEMBL16950784

C=[C]c1cc(CC(C)C)cc(OC(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ LMNA P02545 6/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TTR P02766 1/20 0.33

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
SCHEMBL16955768 0.83 CYP4F2 (0.44) CYP4F2CYP4A11LMNAKDM4EKMT2A
SCHEMBL16955131 0.81 PTPN1 (0.43) CYP4F2CYP4A11LMNAKDM4EKMT2A
SCHEMBL16958037 0.81 LMNA (0.46) CYP4F2CYP4A11LMNAKDM4EKMT2A
SCHEMBL16957669 0.80 CYP4F2 (0.44) CYP4F2CYP4A11LMNAKDM4EKMT2A
SCHEMBL16951174 0.80 TAAR1 (0.38) ALDH1A1
SCHEMBL16953162 0.78 CYP4F2 (0.61) CYP4F2CYP4A11LMNAKDM4EKMT2A
SCHEMBL16957671 0.78 LMNA (0.46) CYP4F2CYP4A11LMNAKDM4EKMT2A
SCHEMBL16961108 0.78 ALOX5 (0.43) CYP4F2CYP4A11LMNAKDM4ETP53
SCHEMBL16956888 0.78 CYP4F2 (0.42) CYP4F2CYP4A11LMNAKDM4EKMT2A
SCHEMBL16957281 0.77 CYP19A1 (0.36) CYP4F2CYP4A11LMNAKDM4EKMT2A

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-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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