SCHEMBL7565757

SCHEMBL7565757

O=C(OOC(C(=O)O)C(O)CO)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 2/20 0.50
F2 P00734 1/20 0.50
ALDH1A1 P00352 3/20 0.49
PRKCA P17252 1/20 0.43
CYP2D6 P10635 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL9533572 0.84 TSHR (0.64) TSHRTP53LMNAF2ALDH1A1
SCHEMBL29991463 0.83 TSHR (0.70) TSHRTP53LMNAF2ALDH1A1
SCHEMBL5694473 0.76 TSHR (0.64) TSHRTP53LMNAF2ALDH1A1
Benzoyl Peroxide SCHEMBL27392104 0.75 LMNA (0.52) TSHRTP53LMNAF2ALDH1A1
SCHEMBL9485147 0.75 LMNA (0.67) TSHRTP53LMNAF2ALDH1A1
SCHEMBL7603543 0.74 SLC1A1 (0.47) TSHRTP53ALDH1A1CYP2D6TDP1
SCHEMBL7079117 0.73 PPARG (0.46)
Biphenyl SCHEMBL6026340 0.71 KMT2A (0.40) TSHRTP53ALDH1A1CYP2D6KMT2A
SCHEMBL18866336 0.70 LMNA (0.59) TSHRTP53LMNAF2ALDH1A1
SCHEMBL14081826 0.70 PRKCA (0.52) TSHRTP53LMNAF2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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