SCHEMBL7564565

SCHEMBL7564565

O=C(CO)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PPARG P37231 8/20 0.49
PPARA Q07869 6/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ABCC4 O15439 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.47
CYP19A1 P11511 1/20 0.47
ELANE P08246 1/20 0.47
ALDH1A1 P00352 1/20 0.46
FABP7 O15540 1/20 0.46
FABP3 P05413 1/20 0.46
FABP5 Q01469 1/20 0.46

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
SCHEMBL593272 0.87 CYP19A1 (0.58) ASAH1MEN1KMT2ALMNAHTT
SCHEMBL27396289 0.85 CYP19A1 (0.56) MEN1KMT2ALMNAHTTMAPT
SCHEMBL1931453 0.85 KMT2A (0.54) MEN1KMT2ALMNASMN1; SMN2GAA
SCHEMBL2637879 0.85 ASAH1 (0.68) ASAH1KMT2APPARGPPARALMNA
SCHEMBL17547131 0.83 ESR1 (0.55) ASAH1MEN1KMT2APPARGPPARA
SCHEMBL5289878 0.82 ELANE (0.69) ASAH1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL14984015 0.82 EGFR (0.54) ASAH1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4396367 0.82 ASAH1 (0.50) ASAH1MEN1KMT2APPARGPPARA
SCHEMBL28011898 0.82 ASAH1 (0.54) ASAH1MEN1KMT2APPARGPPARA
SCHEMBL11522681 0.82 PTPN1 (0.53) ASAH1MEN1KMT2APPARGPPARA

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 5 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-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
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