Mandelic Acid

Mandelic Acid

SCHEMBL1832889

NCCO.O=C(O)C(O)c1ccccc1

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MPL

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 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.72
▸ MAPK1 P28482 1/20 0.72
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ SRC P12931 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ GABBR2 O75899 1/20 0.44
▸ GABBR1 Q9UBS5 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HRH1 P35367 1/20 0.43
▸ BCAT2 O15382 1/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41

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 SCHEMBL1672106 0.92 LMNA (0.78) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL8744861 0.92 LMNA (0.78) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL28803140 0.90 LMNA (0.82) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL26611028 0.90 LMNA (0.82) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL9393798 0.88 LMNA (0.72) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL28177337 0.86 LMNA (0.69) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL29287647 0.86 LMNA (0.75) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL28014619 0.86 LMNA (0.75) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL8876737 0.85 LMNA (0.90) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL6056301 0.85 LMNA (0.90) LMNAMAPK1CES2CES1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 — — US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 — — US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 — — US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 — — US disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 — — US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 — — EP disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 — — US disclosed
US-4234599-A Treatment of skin keratoses with α-hydroxy acids and related compounds SCOTT EUGENE J VAN 1980-11-18 — — US disclosed
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