SCHEMBL360781

SCHEMBL360781

O=C(O)[C@@H](O)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.50
TSHR P16473 1/20 0.50
KEAP1 Q14145 1/20 0.50
DPP4 P27487 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
ANPEP P15144 2/20 0.48
ERAP1 Q9NZ08 2/20 0.48
ERAP2 Q6P179 1/20 0.48
CYP1A2 P05177 1/20 0.48
MME P08473 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL233440 1.00 CNR2 (0.50) CNR2TSHRKEAP1DPP4MMP2
SCHEMBL233441 1.00 CNR2 (0.50) CNR2TSHRKEAP1DPP4MMP2
Ammonia Solution, Strong SCHEMBL28234808 0.98 CNR2 (0.49) CNR2TSHRKEAP1DPP4MMP2
SCHEMBL27859676 0.98 CNR2 (0.49) CNR2TSHRKEAP1DPP4MMP2
SCHEMBL27859674 0.98 CNR2 (0.49) CNR2TSHRKEAP1DPP4MMP2
Nitrous Acid SCHEMBL27625772 0.92 MME (0.46) CNR2TSHRKEAP1DPP4MMP2
SCHEMBL5962191 0.89 S1PR2 (0.54) CNR2TSHRMMEMEN1HTT
Trifluoroacetic Acid SCHEMBL8142317 0.89 CPA1 (0.49) CNR2TSHRKEAP1CYP1A2MME
SCHEMBL7761730 0.89 S1PR2 (0.54) CNR2TSHRMMEMEN1HTT
SCHEMBL8688130 0.89 S1PR2 (0.54) CNR2TSHRMMEMEN1HTT

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 155 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114487076-A Method for analyzing enantiomer structures of R, S-mandelic acid and derivatives thereof 宁波大学 2022-05-13 CN claimed
CN-101701227-B Method for preparing optically pure 2-hydroxy-4-phenyl butyric acid with lactonase UNIV EAST CHINA SCIENCE & TECH 2012-01-11 CN claimed
CN-101701227-A Method for preparing optically pure 2-hydroxy-4-phenyl butyric acid with lactonase UNIV EAST CHINA SCIENCE & TECH 2010-05-05 CN claimed
EP-1326993-B1 PRODUCTION OF ALPHA-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM EXCELSYN MOLECULAR DEV LTD (GB) 2007-05-23 EP claimed
US-20040053382-A1 Production of alpha-hydroxy-carboxylic acids using a coupled enzyme system EXCELSYN MOLECULAR DEVELOPMENT LIMITED (GB) 2004-03-18 US claimed
EP-1326993-A2 PRODUCTION OF g(a)-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM PCBU Services, Inc. (US) 2003-07-16 EP claimed
WO-2002033110-A2 PRODUCTION OF α-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM PCBU SERVICES, INC. (US) 2002-04-25 WO claimed
US-5994555-A (4S,5S)-4-BENZYL-2-OXO-OXAZOLIDINE-5-CARBOXYLIC ACID FROM PHENYLALANINE AND PHTHALIC ANHYDRIDE F. HOFFMAN-LAROCHE AG (CH) 1999-11-30 US claimed
EP-0394448-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2-HYDROXY-4-PHENYLBUTYRIC ACIDS DAICEL CHEM (JP) 1996-05-01 EP claimed
US-5256552-A Reduction of 2-oxo-4-phenylbutyric acid with microorganism DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-26 US claimed
EP-0394448-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2-HYDROXY-4-PHENYLBUTYRIC ACIDS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1990-10-31 EP claimed
JP-62212329-A None JP disclosed
JP-1225499-A None JP disclosed
JP-3204838-A None JP disclosed
WO-2023178378-A1 MIP INHIBITORS DMTC Limited (AU) 2023-09-28 WO disclosed
WO-1989007147-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2-HYDROXY-4-PHENYLBUTYRIC ACIDS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-10 WO disclosed
EP-0325971-A2 Process for the preparation of optically pure hydroxyarylalkanoic acids and esters F. HOFFMANN-LA ROCHE AG (CH) 1989-08-02 EP disclosed
US-4837354-A Process for making and isolating (R)-2-hydroxy-4-phenylbutyric acid and esters MERRELL DOW PHARMACEUTICALS INC. (US) 1989-06-06 US disclosed
EP-0280285-A2 Process for making and isolating (R)-2-hydroxy 4-phenylbutyric acid and esters MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-31 EP disclosed
JP-S62212329-A PRODUCTION OF ALPHA-HYDROXYCARBOXYLIC ACID DERIVATIVE SANKYO CO LTD 1987-09-18 JP disclosed