SCHEMBL8775211

SCHEMBL8775211

CCCCCC[C@H]1OC(=O)C(OCc2ccccc2)=C1O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.54
CES2 O00748 1/20 0.49
MAOB P27338 3/20 0.48
CDC25B P30305 5/20 0.46
CDC25A P30304 2/20 0.46
DUSP3 P51452 2/20 0.46
CETP P11597 3/20 0.44
PTPN1 P18031 4/20 0.43
ACP1 P24666 2/20 0.43

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
SCHEMBL8775421 1.00 HPSE (0.54) HPSECES2MAOBCDC25BCDC25A
SCHEMBL8775103 1.00 HPSE (0.54) HPSECES2MAOBCDC25BCDC25A
SCHEMBL8775197 0.88 HPSE (0.48) HPSEMAOBCDC25BCDC25ADUSP3
SCHEMBL8775107 0.88 HPSE (0.48) HPSEMAOBCDC25BCDC25ADUSP3
SCHEMBL8775118 0.88 HPSE (0.48) HPSEMAOBCDC25BCDC25ADUSP3
SCHEMBL8775124 0.88 HPSE (0.48) HPSEMAOBCDC25BCDC25ADUSP3
SCHEMBL8775207 0.88 HPSE (0.48) HPSEMAOBCDC25BCDC25ADUSP3
SCHEMBL7984845 0.83 HPSE (0.44) HPSEMAOBCDC25BCDC25ADUSP3
SCHEMBL7972796 0.82 HPSE (0.40) HPSEMAOB
SCHEMBL13486530 0.82 HPSE (0.52) HPSECES2MAOBCETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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