SCHEMBL16955690

SCHEMBL16955690

[CH2]C(CO)c1cc(Br)cc(OC(C)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ BACE1 P56817 2/20 0.36
▸ LMNA P02545 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ CFD P00746 2/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ ALOX5 P09917 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 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
SCHEMBL16959876 0.89 CYP4F2 (0.44) CYP4F2CYP4A11BACE1LMNAKDM4E
SCHEMBL16959879 0.87 CYP4F2 (0.38) CYP4F2CYP4A11BACE1LMNAKDM4E
SCHEMBL16955371 0.83 BACE1 (0.40) CYP4F2CYP4A11BACE1LMNAKDM4E
SCHEMBL16950752 0.83 CYP4F2 (0.40) CYP4F2CYP4A11BACE1LMNAKDM4E
SCHEMBL16953473 0.83 LMNA (0.44) CYP4F2CYP4A11BACE1LMNAKDM4E
SCHEMBL16961476 0.83 CYP4F2 (0.40) CYP4F2CYP4A11BACE1LMNAKDM4E
SCHEMBL16952032 0.83 CFD (0.37) CYP4F2CYP4A11BACE1LMNAKDM4E
SCHEMBL16951009 0.82 CYP4F2 (0.39) CYP4F2CYP4A11BACE1LMNAKDM4E
SCHEMBL16956220 0.82 CYP4F2 (0.56) CYP4F2CYP4A11BACE1LMNAKDM4E
SCHEMBL16961677 0.81 ABCB11 (0.36) CYP3A4ALDH1A1MAPK1

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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