SCHEMBL28534752

SCHEMBL28534752

CCOc1cccc2c1C[C@@](O)(C(=O)OC)C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
PDK2 Q15119 1/20 0.37
TTR P02766 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
GLA P06280 1/20 0.36
ATM Q13315 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL28533193 1.00 MAPT (0.39) MAPTALDH1A1HPGDHTR2AHTR2C
SCHEMBL28541543 0.87 CA1 (0.47) MAPTALDH1A1HPGDCA1CA2
SCHEMBL28540388 0.82 CA1 (0.43) MAPTALDH1A1HPGDCA1CA2
SCHEMBL28540387 0.82 CA1 (0.43) MAPTALDH1A1HPGDCA1CA2
SCHEMBL28535248 0.80 CA1 (0.41) MAPTALDH1A1HPGDPDK2CA1
SCHEMBL28535153 0.80 CA1 (0.41) MAPTALDH1A1HPGDPDK2CA1
SCHEMBL28613237 0.79 KDM4E (0.40) MAPTALDH1A1HPGDCA1CA2
SCHEMBL28534914 0.74 CA1 (0.43) MAPTALDH1A1HTR2AHTR2CCA1
SCHEMBL28535270 0.74 CA1 (0.43) MAPTALDH1A1HTR2AHTR2CCA1
SCHEMBL29203061 0.74 CA1 (0.38) MAPTALDH1A1CA1CA2CA7

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-108516937-B Method for preparing chiral alpha-hydroxy-beta-keto ester compound by visible light-initiated aerobic Salan-copper catalyst 大连理工大学 2021-03-26 CN disclosed