SCHEMBL29634689

SCHEMBL29634689

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC7A5 Q01650 1/20 0.31
TP53 P04637 1/20 0.30
TSHR P16473 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
SCHEMBL31668698 0.80 ALDH1A1 (0.44) ALDH1A1MAPTPTGS1
SCHEMBL30317213 0.80 ALDH1A1 (0.44) ALDH1A1MAPTPTGS1
SCHEMBL28479550 0.76 CA2 (0.37) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL88565 0.76 CA2 (0.37) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL3458098 0.76 CA2 (0.37) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL3458099 0.76 CA2 (0.37) CA2ALDH1A1MAPTPTGS1SLC7A5
Hydrochloric Acid SCHEMBL76316 0.74 CA2 (0.36) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL10519395 0.74 CA2 (0.40) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL8357912 0.74 CA2 (0.43) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL22546685 0.74 CA2 (0.36) CA2ALDH1A1MAPTPTGS1SLC7A5

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-114675691-A Construction process temperature control method and device for asphalt mixture and storable medium 中铁三局集团第五工程有限公司 2022-06-28 CN disclosed