SCHEMBL8090957

SCHEMBL8090957

CO[C@@H](C(=O)N(C)C)[C@@H](OC)C(=O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 1/20 0.30
APEX1 P27695 1/20 0.30
PMP22 Q01453 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
SCHEMBL16405045 1.00 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1ALDH1A1TSHR
SCHEMBL7127933 1.00 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1ALDH1A1TSHR
SCHEMBL21993869 0.87 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1
SCHEMBL9716580 0.85 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1
SCHEMBL3902508 0.77 ALDH1A1 (0.33) ALDH1A1TSHRNFKB1THPOHSD17B10
SCHEMBL14813150 0.76
SCHEMBL319703 0.76 SLC1A3 (0.32) SLC1A3SLC1A2SLC1A1
SCHEMBL12505764 0.76 SLC1A3 (0.32) SLC1A3SLC1A2SLC1A1
SCHEMBL12807367 0.74
SCHEMBL11383067 0.72

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
US-6090950-A Chiral hydride complexes ZEELAND CHEMICALS, INC. (US) 2000-07-18 US disclosed