SCHEMBL7777306

SCHEMBL7777306

O=C(O)CC(C(=O)O)N(CC(O)CO)CC(O)CO

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
GABRR1 P24046 2/20 0.35
LMNA P02545 2/20 0.35
OR51E2 Q9H255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.32
EPOR P19235 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6010163 0.85 OR51E2 (0.39) SLC22A6GABRR1LMNAOR51E2ALDH1A1
SCHEMBL6010151 0.85 OR51E2 (0.39) SLC22A6GABRR1LMNAOR51E2ALDH1A1
SCHEMBL7777310 0.85 OR51E2 (0.32) OR51E2
SCHEMBL9453092 0.82 SLC22A6 (0.39) SLC22A6SMN1; SMN2GABRR1LMNAOR51E2
SCHEMBL9453086 0.82 SLC22A6 (0.39) SLC22A6SMN1; SMN2GABRR1LMNAOR51E2
SCHEMBL6275148 0.82 OR51E2 (0.36) LMNAOR51E2ALDH1A1
SCHEMBL6275155 0.82 OR51E2 (0.36) LMNAOR51E2ALDH1A1
SCHEMBL6009490 0.81 TET2 (0.42) OR51E2EPOR
SCHEMBL6009481 0.81 TET2 (0.42) OR51E2EPOR
SCHEMBL6944554 0.78 SLC22A6 (0.35) SLC22A6SMN1; SMN2GABRR1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127153-A1 METHOD OF PRODUCING ASPARTIC ACID DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-08-29 EP claimed
WO-2000026398-A1 METHOD OF PRODUCING ASPARTIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-05-11 WO claimed
EP-1127153-A1 METHOD OF PRODUCING ASPARTIC ACID DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-08-29 EP disclosed
WO-2000026398-A1 METHOD OF PRODUCING ASPARTIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed