SCHEMBL2732955

SCHEMBL2732955

C=CCC(=O)OCCn1c(=O)n(C)c(=O)n(CCOC(=O)C=C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 2/20 0.36
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ADORA2B P29275 1/20 0.32
PLA2G4A P47712 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2730786 0.90 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2731366 0.87 GAA (0.36) ALDH1A1CYP3A4GAAHTTKDM4E
SCHEMBL2367695 0.87 HTT (0.42) ALDH1A1CYP3A4GAAHTTKDM4E
SCHEMBL2730490 0.84 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL42549 0.83 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16545857 0.83 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23713460 0.82 GAA (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16284828 0.79 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8677233 0.79 CYP3A4 (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14370783 0.79 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A

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
JP-2011236175-A N-METHYL ISOCYANURATE COMPOUND SHIKOKU CHEM CORP 2011-11-24 JP disclosed