Mandelic Acid

Mandelic Acid

SCHEMBL7684755

O=C(O)[C@@H](O)c1ccccc1.[O-][S@@+]1Cc2ccccc2C12CCNCC2

nearest known ligand 0.43

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
USP2 O75604 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
HTR2A P28223 2/20 0.31
DRD2 P14416 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL7627479 0.83 HTR2A (0.41) DPP9DPP7HTR2ADRD2SLC6A2
SCHEMBL6153867 0.83 HTR2A (0.41) DPP9DPP7HTR2ADRD2SLC6A2
SCHEMBL761583 0.83 HTR2A (0.41) DPP9DPP7HTR2ADRD2SLC6A2
Hydrochloric Acid SCHEMBL6196871 0.82 HTR2A (0.40) DPP9DPP7HTR2ADRD2SLC6A2
Hydrochloric Acid SCHEMBL7498632 0.82 HTR2A (0.40) DPP9DPP7HTR2ADRD2SLC6A2
SCHEMBL4867850 0.70 RBP4 (0.38) MAPK1USP2CYP2C19
Mandelic Acid SCHEMBL27837822 0.68 LMNA (0.67) LMNAMAPK1CYP2D6HPGDCES2
Mandelic Acid SCHEMBL27563685 0.67 LMNA (0.95) LMNAMAPK1CYP2D6HPGDCES2
Mandelic Acid SCHEMBL27603168 0.66 LMNA (0.62) LMNAMAPK1CYP2D6HPGDCES2
Mandelic Acid SCHEMBL29777368 0.66 LMNA (1.00) LMNAMAPK1CYP2D6HPGDCES2

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
US-6362179-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS SANKYO COMPANY, LIMITED (JP) 2002-03-26 US disclosed