SCHEMBL16953162

SCHEMBL16953162

CC(=O)Oc1cc(CO)cc(CC(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.61
▸ CYP4A11 Q02928 2/20 0.61
▸ BACE1 P56817 1/20 0.38
▸ PTGS2 P35354 4/20 0.38
▸ LMNA P02545 6/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CASP7 P55210 1/20 0.35

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
SCHEMBL5161615 0.84 CYP4F2 (0.76) CYP4F2CYP4A11BACE1LMNAMAPT
SCHEMBL16957671 0.83 LMNA (0.46) CYP4F2CYP4A11BACE1PTGS2LMNA
SCHEMBL16957669 0.82 CYP4F2 (0.44) CYP4F2CYP4A11BACE1PTGS2LMNA
SCHEMBL16956887 0.82 CYP4F2 (0.44) CYP4F2CYP4A11BACE1PTGS2LMNA
SCHEMBL16955155 0.81 CYP4F2 (0.44) CYP4F2CYP4A11BACE1PTGS2LMNA
SCHEMBL16954675 0.81 CYP4F2 (0.67) CYP4F2CYP4A11BACE1LMNAMAPT
SCHEMBL16957519 0.80 CYP4F2 (0.61) CYP4F2CYP4A11BACE1LMNAMAPT
SCHEMBL16955790 0.80 CYP4F2 (0.61) CYP4F2CYP4A11BACE1LMNAMAPT
SCHEMBL16960175 0.80 GABRA1 (0.43) PTGS2LMNAMAPTKMT2AMEN1
SCHEMBL16953159 0.80 LMNA (0.43) CYP4F2CYP4A11BACE1PTGS2LMNA

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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