SCHEMBL12435124

SCHEMBL12435124

CC(C)(C)[C@H](O)[C@H](N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.55
PTGS1 P23219 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
SLC1A2 P43004 3/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A1 P43005 2/20 0.41
USP2 O75604 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
TP53 P04637 1/20 0.36
NR1I2 O75469 1/20 0.35
ADRA1A P35348 1/20 0.35
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 1/20 0.35
GRIK1 P39086 1/20 0.32
TSHR P16473 1/20 0.32
GLO1 Q04760 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
SCHEMBL14975419 1.00 SLC7A5 (0.55) SLC7A5PTGS1ALDH1A1MAPTSLC1A2
SCHEMBL14975416 1.00 SLC7A5 (0.55) SLC7A5PTGS1ALDH1A1MAPTSLC1A2
SCHEMBL12435125 1.00 SLC7A5 (0.55) SLC7A5PTGS1ALDH1A1MAPTSLC1A2
SCHEMBL15329138 1.00 SLC7A5 (0.55) SLC7A5PTGS1ALDH1A1MAPTSLC1A2
SCHEMBL11855651 0.82 SLC7A5 (0.46) SLC7A5PTGS1ALDH1A1MAPTSLC1A2
SCHEMBL18211555 0.79 ALDH1A1 (0.37) SLC7A5PTGS1ALDH1A1MAPT
SCHEMBL3891579 0.79 SLC7A5 (0.55) SLC7A5PTGS1ALDH1A1MAPTSLC1A2
SCHEMBL4441664 0.79 SLC7A5 (0.55) SLC7A5PTGS1ALDH1A1MAPTSLC1A2
Methane SCHEMBL2033946 0.77 SLC7A5 (0.52) SLC7A5PTGS1ALDH1A1MAPTSLC1A2
Methane SCHEMBL2032537 0.77 SLC7A5 (0.52) SLC7A5PTGS1ALDH1A1MAPTSLC1A2

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
EP-2353714-A1 ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2011-08-10 EP disclosed