SCHEMBL19723149

SCHEMBL19723149

C=C(/C=C(/C)OC(C)=O)OC(C)(CCC=C(C)C)C1CC=C(C)CC1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.74
CYP3A4 P08684 2/20 0.74
ALOX15 P16050 2/20 0.74
STAT3 P40763 2/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
CHRNA7 P36544 1/20 0.54
PTPN1 P18031 2/20 0.53
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 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
Bisabolol Acetate SCHEMBL4279285 0.85 LMNA (1.00) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL13136691 0.77 ALOX15 (0.74) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL3053446 0.77 ALOX15 (0.74) LMNACYP3A4ALOX15STAT3MEN1
Dimethylamine SCHEMBL4978247 0.76 CYP3A4 (0.73) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL13177710 0.75 ALOX15 (0.72) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL8510625 0.74 LMNA (0.70) LMNACYP3A4ALOX15STAT3MEN1
Linalyl Acetate SCHEMBL28096246 0.73 ALOX15 (0.68) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL63131 0.72 CYP3A4 (0.67) LMNACYP3A4ALOX15STAT3MEN1
Levomenol SCHEMBL14515491 0.71 ALOX15 (1.00) LMNACYP3A4ALOX15STAT3MEN1
Levomenol SCHEMBL1245143 0.71 ALOX15 (1.00) LMNACYP3A4ALOX15STAT3MEN1

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-2648689-B1 2-PYRONES MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed