Mandelic Acid

Mandelic Acid

SCHEMBL28053312

C[C@@H](N)c1ccccc1.O=C(O)[C@H](O)c1ccccc1

nearest known ligand 0.72

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.72
MAPK1 P28482 1/20 0.72
HIF1A Q16665 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2C P18825 1/20 0.50
HPGD P15428 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CYP2D6 P10635 1/20 0.45
SRC P12931 1/20 0.45
ALOX5 P09917 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43

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
Mandelic Acid SCHEMBL28826203 1.00 LMNA (0.72) LMNAMAPK1HIF1AKDM4EADRA2A
Mandelic Acid SCHEMBL1832893 0.92 LMNA (0.78) LMNAMAPK1HIF1AKDM4EADRA2A
Mandelic Acid SCHEMBL1832891 0.92 LMNA (0.78) LMNAMAPK1HIF1AKDM4EADRA2A
Mandelic Acid SCHEMBL1275427 0.87 LMNA (0.86) LMNAMAPK1HIF1AKDM4EADRA2A
Mandelic Acid SCHEMBL8630179 0.85 LMNA (0.82) LMNAMAPK1KDM4EADRA2AADRA2C
Mandelic Acid SCHEMBL7279536 0.85 LMNA (0.90) LMNAMAPK1KDM4EHPGDALDH1A1
Mandelic Acid SCHEMBL8876737 0.85 LMNA (0.90) LMNAMAPK1KDM4EADRA2AADRA2C
Mandelic Acid SCHEMBL6056301 0.85 LMNA (0.90) LMNAMAPK1KDM4EADRA2AADRA2C
Bicarbonate SCHEMBL27964415 0.85 LMNA (0.54) LMNAMAPK1HIF1AKDM4EADRA2A
Mandelic Acid SCHEMBL29777368 0.85 LMNA (1.00) LMNAMAPK1KDM4EHPGDALDH1A1

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-105294427-A Resolving synthetic method for paramethoxymandelic acid SHANGHAI YURLIC CHEMICAL S&T CO LTD 2016-02-03 CN disclosed