SCHEMBL8775237

SCHEMBL8775237

O=C1O[C@@H](Cc2ccccc2)C(O)=C1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
SRD5A2 P31213 1/20 0.39
NSD2 O96028 1/20 0.39
ABL1 P00519 1/20 0.39
PPARG P37231 1/20 0.39
RIN1 Q13671 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL8775300 1.00 HPSE (0.43) HPSELMNACYP1A2PTGS1SLC6A2
SCHEMBL8775462 1.00 HPSE (0.43) HPSELMNACYP1A2PTGS1SLC6A2
SCHEMBL7984845 0.85 HPSE (0.44) HPSELMNACYP1A2PTGS1SLC6A2
SCHEMBL7972796 0.84 HPSE (0.40) HPSELMNACYP1A2PTGS1SLC6A2
SCHEMBL7987791 0.81 HPSE (0.39) HPSELMNACYP1A2PTGS1SLC6A2
SCHEMBL8775421 0.80 HPSE (0.54) HPSEMAOB
SCHEMBL7984708 0.80 HPSE (0.38) HPSELMNACYP1A2PTGS1SLC6A2
SCHEMBL8775103 0.80 HPSE (0.54) HPSEMAOB
SCHEMBL8775211 0.80 HPSE (0.54) HPSEMAOB
SCHEMBL9423156 0.79 LMNA (0.43) HPSELMNACYP1A2PTGS1SLC6A2

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