SCHEMBL7603543

SCHEMBL7603543

O=C(O)C(OOCc1ccccc1)C(O)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.47
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
SRR Q9GZT4 2/20 0.37
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL10472894 0.86 SLC1A1 (0.56) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL4955338 0.86 SLC1A1 (0.56) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL5269098 0.77 SLC1A2 (0.59) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL10439884 0.77 SLC1A2 (0.59) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL6216660 0.77 SLC1A3 (0.35) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL8992078 0.77 SLC1A1 (0.41) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL9264624 0.76 SLC1A3 (0.34) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL6139575 0.76 SLC1A3 (0.34) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL7565757 0.74 TSHR (0.51) KMT2AMEN1CYP2D6ALDH1A1MAPK1
SCHEMBL18441113 0.74 TRPA1 (0.46) CYP1A2CYP2C19ALDH1A1MAPK1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5095126-A Efficient synthesis for optically pure stereogenically labile 4-substituted-2-hydroxytetronic acids OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1992-03-10 US claimed
EP-0746551-B1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS UNIV OHIO STATE RES FOUND (US) 2002-09-04 EP disclosed
EP-0804430-A1 SYNTHESIS OF OPTICALLY PURE 4-ALKENYL- OR 4-ALKANYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-11-05 EP disclosed
US-5656662-A TREATING OR PREVENTING ATHEROSCLEROTIC DISORDERS, INHIBITING INFLAMMATORY CYTOKINES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-08-12 US disclosed
EP-0746551-A1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-12-11 EP disclosed
US-5504108-A ANTIAGGLOMERANTS, ANTIARTHRITIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-04-02 US disclosed
US-5504107-A ANTICOAGULANTS, PREVENTING ATHEROSCLEROSIS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-04-02 US disclosed
WO-1995032194-A1 SYNTHESIS OF OPTICALLY PURE 4-ALKENYL- OR 4-ALKANYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-11-30 WO disclosed
WO-1995023139-A1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-08-31 WO disclosed
US-5399721-A Anticoagulant; prepared from aldehyde THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-03-21 US disclosed
US-5298526-A Optically pure stereogenically labile 4-substituted-2-hydroxytetronic acids and pharmaceutical use THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1994-03-29 US disclosed
US-5095126-A Efficient synthesis for optically pure stereogenically labile 4-substituted-2-hydroxytetronic acids OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1992-03-10 US disclosed