Mandelic Acid

Mandelic Acid

SCHEMBL1737708

O=C(O)C(O)c1ccccc1.O=S(=O)(O)CCS(=O)(=O)O

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DRD2

The experimentally established mechanism targets of Mandelic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
MAPK1 P28482 1/20 0.69
SRC P12931 3/20 0.55
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 1/20 0.43
HPGD P15428 2/20 0.43
CYP2C19 P33261 1/20 0.43
NAAA Q02083 2/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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 SCHEMBL20523297 0.95 LMNA (0.62) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL4847480 0.88 LMNA (0.82) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL2770258 0.84 LMNA (0.75) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL16499234 0.84 LMNA (0.62) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL5313046 0.83 LMNA (1.00) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL21647917 0.83 LMNA (1.00) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL165161 0.83 LMNA (1.00) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL255601 0.83 LMNA (1.00) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL29777368 0.83 LMNA (1.00) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL1050 0.83 LMNA (1.00) LMNAMAPK1SRCCES2CES1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132216-B1 NOVEL NUCLEOSIDE ANALOGS FOR TREATMENT OF VIRAL INFECTIONS NOVARTIS PHARMA AG (CH) 2011-11-16 EP disclosed
WO-2011131167-A2 BISTABLE MAGNETIC ACTUATOR JOHNSON ELECTRIC DRESDEN GMBH (DE) 2011-10-27 WO disclosed
EP-2132216-A1 NOVEL NUCLEOSIDE ANALOGS FOR TREATMENT OF VIRAL INFECTIONS Novartis Pharma AG. (CH) 2009-12-16 EP disclosed
WO-2008095993-A1 NOVEL NUCLEOSIDE ANALOGS FOR TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2008-08-14 WO disclosed