SCHEMBL29638822

SCHEMBL29638822

O=C(CC(=O)NCC(O)CO)NCC(O)CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
THRB P10828 1/20 0.33
CA2 P00918 1/20 0.33
SLC6A2 P23975 1/20 0.33
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
OR51E2 Q9H255 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL10296844 0.87 LMNA (0.38) LMNAALDH1A1EGFRSRCCYP2C19
SCHEMBL10296842 0.87 LMNA (0.38) LMNAALDH1A1EGFRSRCCYP2C19
SCHEMBL9735094 0.87 LMNA (0.38) LMNAALDH1A1EGFRSRCCYP2C19
SCHEMBL2414889 0.86 LMNA (0.39) LMNAALDH1A1EGFRSRCCYP2C19
SCHEMBL8663853 0.86 LMNA (0.33) LMNAALDH1A1EGFRSRCCYP2C19
SCHEMBL619494 0.83 ALDH1A1 (0.44) LMNAALDH1A1EGFRSRCCYP2C19
SCHEMBL8446515 0.83 ASAH1 (0.35) LMNAALDH1A1EGFRSRCCYP2C19
SCHEMBL12214451 0.83 MMP2 (0.41) LMNAALDH1A1EGFRSRCCYP2C19
SCHEMBL12533037 0.83 LMNA (0.35) LMNAALDH1A1EGFRSRCCYP2C19
SCHEMBL12214348 0.83 NAAA (0.39) LMNAALDH1A1EGFRSRCCYP2C19

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
CN-108368031-B Innovative preparation and crystal of iomesol 大塚制药株式会社 2022-05-03 CN disclosed