Mandelic Acid

Mandelic Acid

SCHEMBL9307526

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

nearest known ligand 0.82

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.82
MAPK1 P28482 1/20 0.82
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
HPGD P15428 1/20 0.53
SRC P12931 2/20 0.50
CYP2D6 P10635 1/20 0.50
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
NAAA Q02083 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN7 P35236 1/20 0.42
BLM P54132 1/20 0.42
ESR2 Q92731 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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 SCHEMBL7279536 0.91 LMNA (0.90) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL1050 0.91 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL165161 0.91 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL29777368 0.91 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL255601 0.91 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL21647917 0.91 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL5313046 0.91 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL2689157 0.88 LMNA (0.86) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL1275427 0.88 LMNA (0.86) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL3934174 0.88 LMNA (0.95) LMNAMAPK1CES2CES1HPGD

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
US-5326887-A Reacting ester of alpha hydroxy acid oligomer over fixed bed catalyst E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-05 US disclosed
WO-1992015572-A1 PROCESS FOR THE PREPARATION OF 1,4-DIOXANE-2,5-DIONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-17 WO disclosed