SCHEMBL27770238

SCHEMBL27770238

N[C@@H](O)CC(=O)OS(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
MAPT P10636 3/20 0.37
LARS1 Q9P2J5 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
PLA2G7 Q13093 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL27791598 1.00 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1MAPTLARS1
SCHEMBL27791566 1.00 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1MAPTLARS1
SCHEMBL538086 0.85 SLC1A1 (0.45) SLC1A3SLC1A2SLC1A1LARS1PKM
SCHEMBL3227102 0.84 LARS1 (0.38) SLC1A3SLC1A2SLC1A1MAPTLARS1
SCHEMBL27791469 0.84 ALDH1A1 (0.37) SLC1A3SLC1A2SLC1A1MAPTLARS1
SCHEMBL27770237 0.84 ALDH1A1 (0.37) SLC1A3SLC1A2SLC1A1MAPTLARS1
SCHEMBL3037681 0.81 KMT2A (0.46) MAPTLARS1ALDH1A1KMT2AHSD11B1
SCHEMBL27725760 0.80 KMT2A (0.42) MAPTLARS1ALDH1A1KMT2ACA12
SCHEMBL27716097 0.79 MAPT (0.41) MAPTALDH1A1KDM4EKMT2AHSD11B1
SCHEMBL9728466 0.77 TSHR (0.41) MAPTALDH1A1KDM4EKMT2AHSD11B1

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
CN-101641348-B Imidazolidinone derivatives HOFFMANN LA ROCHE 2014-09-10 CN disclosed
CN-101641348-A Imidazolidinone derivatives HOFFMANN LA ROCHE CH 2010-02-03 CN disclosed