SCHEMBL8663853

SCHEMBL8663853

NC(=O)CC(=O)NCC(O)CO

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA2 P00918 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
SLC6A2 P23975 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
SCHEMBL29638822 0.86 LMNA (0.40) LMNAALDH1A1CA2CYP2C19HIF1A
SCHEMBL14700212 0.82 PTPN1 (0.37) ALDH1A1CA2HPGD
SCHEMBL18608295 0.82 PTPN1 (0.37) ALDH1A1CA2HPGD
SCHEMBL12214451 0.80 MMP2 (0.41) LMNAALDH1A1CA2CYP2C19HIF1A
SCHEMBL10296844 0.79 LMNA (0.38) LMNAALDH1A1CA2CYP2C19HIF1A
SCHEMBL10055927 0.79
SCHEMBL9735094 0.79 LMNA (0.38) LMNAALDH1A1CA2CYP2C19HIF1A
SCHEMBL10296842 0.79 LMNA (0.38) LMNAALDH1A1CA2CYP2C19HIF1A
SCHEMBL10056070 0.79
SCHEMBL1315186 0.79

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877628-A2 BUFFER SYSTEMS FOR USE IN STABILIZING PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT (DE) 1998-11-18 EP disclosed
WO-1997028104-A2 BUFFER SYSTEMS FOR USE IN STABILIZING PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT (DE) 1997-08-07 WO disclosed