Mandelic Acid

Mandelic Acid

SCHEMBL28093049

CS(=O)(=O)O.O=C(O)C(O)c1ccccc1.O=C(O)CC(=O)O

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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 0.64
MAPK1 P28482 1/20 0.64
SRC P12931 2/20 0.52
NAAA Q02083 2/20 0.46
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GMNN O75496 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2C19 P33261 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
APAF1 O14727 1/20 0.41
CYP2D6 P10635 1/20 0.41
KEAP1 Q14145 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 SCHEMBL2770258 0.93 LMNA (0.75) LMNAMAPK1SRCNAAAHPGD
Mandelic Acid SCHEMBL2774964 0.91 LMNA (0.78) LMNAMAPK1SRCNAAAHPGD
Mandelic Acid SCHEMBL4847480 0.85 LMNA (0.82) LMNAMAPK1SRCNAAAHPGD
Mandelic Acid SCHEMBL1737708 0.81 LMNA (0.69) LMNAMAPK1SRCNAAAHPGD
Mandelic Acid SCHEMBL2689215 0.81 LMNA (0.75) LMNAMAPK1SRCNAAAHPGD
Mandelic Acid SCHEMBL3456058 0.81 LMNA (0.62) LMNAMAPK1SRCNAAAHPGD
Mandelic Acid SCHEMBL30249457 0.81 LMNA (0.82) LMNAMAPK1SRCNAAAHPGD
Mandelic Acid SCHEMBL28154998 0.81 LMNA (0.82) LMNAMAPK1SRCNAAAHPGD
Mandelic Acid SCHEMBL7279536 0.80 LMNA (0.90) LMNAMAPK1SRCNAAAHPGD
Mandelic Acid SCHEMBL29777368 0.80 LMNA (1.00) LMNAMAPK1SRCHPGDALDH1A1

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-103553966-B The solid forms of SARM GTX公司 2016-09-07 CN disclosed